3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile

C14H19N3 — CID 114094936

IUPAC3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESCC1(CNc2cccnc2C#N)CCCCC1
InChIInChI=1S/C14H19N3/c1-14(7-3-2-4-8-14)11-17-12-6-5-9-16-13(12)10-15/h5-6,9,17H,2-4,7-8,11H2,1H3
InChIKeySYRNKZKDKPJKNT-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.34
Rot. Bonds3

About 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile

3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile (PubChem CID 114094936) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
PubChem CID114094936
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESCC1(CNc2cccnc2C#N)CCCCC1
InChIInChI=1S/C14H19N3/c1-14(7-3-2-4-8-14)11-17-12-6-5-9-16-13(12)10-15/h5-6,9,17H,2-4,7-8,11H2,1H3
InChIKeySYRNKZKDKPJKNT-UHFFFAOYSA-N
XLogP3.34
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 161283
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CID 78027
1-N,1-N-dimethyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
CID 39247144
4,6-Dimethylpyridin-3-amine
CID 7060669
3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline
CID 134132646
trans-2-(m-Cyanostyryl)pyridine
CID 18763276
N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 292900
n-Benzyl-2-(pyridin-2-yl)ethanamine
CID 238354
5-Amino-2-methylpyridine
CID 243313
Benzyl-pyridin-2-ylmethyl-amine
CID 795879
2-[(3-Pyridinylamino)methylidene]propanedinitrile
CID 2485743
3-Phenyl-2-(pyridin-2-yl)prop-2-enenitrile
CID 6065026

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile (CID 114094936) is 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile is CC1(CNc2cccnc2C#N)CCCCC1.
What is the InChIKey of 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is SYRNKZKDKPJKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(7-3-2-4-8-14)11-17-12-6-5-9-16-13(12)10-15/h5-6,9,17H,2-4,7-8,11H2,1H3.
What are the key properties of 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 114094936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).