3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile

C15H22N4 — CID 79468158

IUPAC3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1cccnc1)C1CCCC(N)C1
InChIInChI=1S/C15H22N4/c16-7-3-9-19(12-13-4-2-8-18-11-13)15-6-1-5-14(17)10-15/h2,4,8,11,14-15H,1,3,5-6,9-10,12,17H2
InChIKeyNFBFXBQTOTUVFH-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.07
Rot. Bonds5

About 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile

3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile (PubChem CID 79468158) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile
PubChem CID79468158
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1cccnc1)C1CCCC(N)C1
InChIInChI=1S/C15H22N4/c16-7-3-9-19(12-13-4-2-8-18-11-13)15-6-1-5-14(17)10-15/h2,4,8,11,14-15H,1,3,5-6,9-10,12,17H2
InChIKeyNFBFXBQTOTUVFH-UHFFFAOYSA-N
XLogP2.07
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788
3-[(3-oxocyclopentyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 79643393
2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]cyclobutane-1-carboxylic acid
CID 80996165
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
3-[2-(cyclopropylamino)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 61386099
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
CID 79468184
1-(2-cyanoethyl)-3-cyclohexyl-1-(pyridin-3-ylmethyl)thiourea
CID 3968740

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile (CID 79468158) is 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile is N#CCCN(Cc1cccnc1)C1CCCC(N)C1.
What is the InChIKey of 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile?
The InChIKey is NFBFXBQTOTUVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-7-3-9-19(12-13-4-2-8-18-11-13)15-6-1-5-14(17)10-15/h2,4,8,11,14-15H,1,3,5-6,9-10,12,17H2.
What are the key properties of 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile?
3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile has a molecular weight of 258.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 79468158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).