1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile

C13H17N3 — CID 28702750

IUPAC1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCc2cccnc2)CCCCC1
InChIInChI=1S/C13H17N3/c14-11-13(6-2-1-3-7-13)16-10-12-5-4-8-15-9-12/h4-5,8-9,16H,1-3,6-7,10H2
InChIKeyPEDAIPOIGOQFPH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.40
Rot. Bonds3

About 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile

1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile (PubChem CID 28702750) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
PubChem CID28702750
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCc2cccnc2)CCCCC1
InChIInChI=1S/C13H17N3/c14-11-13(6-2-1-3-7-13)16-10-12-5-4-8-15-9-12/h4-5,8-9,16H,1-3,6-7,10H2
InChIKeyPEDAIPOIGOQFPH-UHFFFAOYSA-N
XLogP2.40
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol
CID 115673926
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 70482960
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702708
2-methyl-1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 114990010
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine
CID 11243123
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile (CID 28702750) is 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile is N#CC1(NCc2cccnc2)CCCCC1.
What is the InChIKey of 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile?
The InChIKey is PEDAIPOIGOQFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-11-13(6-2-1-3-7-13)16-10-12-5-4-8-15-9-12/h4-5,8-9,16H,1-3,6-7,10H2.
What are the key properties of 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile?
1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 28702750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).