3-(10-aminodecylamino)propanenitrile

C13H27N3 — CID 129353819

IUPAC3-(10-aminodecylamino)propanenitrile
SMILESN#CCCNCCCCCCCCCCN
InChIInChI=1S/C13H27N3/c14-10-7-5-3-1-2-4-6-8-12-16-13-9-11-15/h16H,1-10,12-14H2
InChIKeyYRRFKLMYTBCCSA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.57
Rot. Bonds12

About 3-(10-aminodecylamino)propanenitrile

3-(10-aminodecylamino)propanenitrile (PubChem CID 129353819) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(10-aminodecylamino)propanenitrile.

Molecular Properties

Compound Name3-(10-aminodecylamino)propanenitrile
PubChem CID129353819
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-(10-aminodecylamino)propanenitrile
SMILESN#CCCNCCCCCCCCCCN
InChIInChI=1S/C13H27N3/c14-10-7-5-3-1-2-4-6-8-12-16-13-9-11-15/h16H,1-10,12-14H2
InChIKeyYRRFKLMYTBCCSA-UHFFFAOYSA-N
XLogP2.57
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
3-(2-cyanoethylamino)propanenitrile
CID 160846337
3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine
CID 174815402
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
3-(hex-5-ynylamino)propanenitrile
CID 106211843
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
3-[[(E)-non-7-enyl]amino]propanenitrile
CID 101282852
3-(hex-5-enylamino)propanenitrile
CID 101282809

Frequently Asked Questions

What is the IUPAC name of 3-(10-aminodecylamino)propanenitrile?
The IUPAC name of 3-(10-aminodecylamino)propanenitrile (CID 129353819) is 3-(10-aminodecylamino)propanenitrile.
What is the SMILES notation for 3-(10-aminodecylamino)propanenitrile?
The canonical SMILES for 3-(10-aminodecylamino)propanenitrile is N#CCCNCCCCCCCCCCN.
What is the InChIKey of 3-(10-aminodecylamino)propanenitrile?
The InChIKey is YRRFKLMYTBCCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c14-10-7-5-3-1-2-4-6-8-12-16-13-9-11-15/h16H,1-10,12-14H2.
What are the key properties of 3-(10-aminodecylamino)propanenitrile?
3-(10-aminodecylamino)propanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.57, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-aminodecylamino)propanenitrile is sourced from PubChem (CID 129353819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).