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Record Information
Version	2.0
Creation Date	2015-07-03 14:04:20 -0600
Update Date	2015-08-05 16:22:05 -0600
Secondary Accession Numbers	ECMDB23932
Identification
Name:	Alkane-alpha,omega-diamine
Description	A primary diamine in which the two amino groups are separated by one or more methylene groups
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xb05df984> Close
Synonyms:	Alkane-a,omega-diamine Alkane-α,omega-diamine Diaminomethane Diaminomethane dihydrochloride
Chemical Formula:	(CH2)nH4N2
Weight:	Average: Not Available Monoisotopic: Not Available
InChI Key:	RTWNYYOXLSILQN-UHFFFAOYSA-N
InChI:	InChI=1S/CH6N2/c2-1-3/h1-3H2
CAS number:	Not Available
IUPAC Name:	Not Available
Traditional IUPAC Name:	Not Available
SMILES:	NCN
Chemical Taxonomy
Description	belongs to the class of organic compounds known as aminals. Aminals are compounds having two amino groups bonded to the same carbon, R2C(NR2)2 where R can by a hydrogen or an alkyl group.
Kingdom	Organic compounds
Super Class	Organic nitrogen compounds
Class	Organonitrogen compounds
Sub Class	Aminals
Direct Parent	Aminals
Alternative Parents	Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Substituents	Aminal Organopnictogen compound Hydrocarbon derivative Primary aliphatic amine Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	one-carbon compound (CHEBI:35413 ) alkane-alpha,omega-diamine (CHEBI:35413 ) aminal (CHEBI:35413 )
Physical Properties
State:	Not Available
Charge:	Not Available
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 658 g/L ALOGPS logP -2.2 ALOGPS logS 1.15 ALOGPS Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	Acetyl-CoA + Alkane-alpha,omega-diamine <> Coenzyme A + N-Acetyldiamine
SMPDB Pathways:	Not Available
KEGG Pathways:	Arginine and proline metabolism ec00330 Metabolic pathways eco01100
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-0002-9000000000-dba26ccfe0c77c5534d6 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0002-9000000000-46fba965349b95319f6f View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-000t-9000000000-bb8f2f5892ece5f1cb0e View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0002-9000000000-ea2abaa679c8f9435a96 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0002-9000000000-fcc48e21dd67172e709c View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-004i-9000000000-5ed5eaaed5f37fa87871 View in MoNA
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 35413 HMDB ID Not Available Pubchem Compound ID 75408 Kegg ID C03687 ChemSpider ID Not Available Wikipedia ID Not Available BioCyc ID Not Available