5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile

C14H20N4 — CID 115490464

IUPAC5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile
SMILESCC1CCCCC1(CN)Nc1ccc(C#N)nc1
InChIInChI=1S/C14H20N4/c1-11-4-2-3-7-14(11,10-16)18-13-6-5-12(8-15)17-9-13/h5-6,9,11,18H,2-4,7,10,16H2,1H3
InChIKeyMQSFODFRVFKGCN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.27
Rot. Bonds3

About 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile

5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile (PubChem CID 115490464) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile
PubChem CID115490464
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile
SMILESCC1CCCCC1(CN)Nc1ccc(C#N)nc1
InChIInChI=1S/C14H20N4/c1-11-4-2-3-7-14(11,10-16)18-13-6-5-12(8-15)17-9-13/h5-6,9,11,18H,2-4,7,10,16H2,1H3
InChIKeyMQSFODFRVFKGCN-UHFFFAOYSA-N
XLogP2.27
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 161283
N-[(4-methylphenyl)methyl]pyridin-3-amine
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CID 2485743
[3,4'-Bipyridine]-3',5'-dicarbonitrile, 1',4'-dihydro-2',6'-dimethyl-
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3-Amino-2-phenylpyridine
CID 2762784
N-Didesmethylpheniramine
CID 161284
2-Fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
CID 2804360
2-(Pyridin-2-yl)hexanenitrile
CID 242508
N-(2-(6-methylpyridin-3-yl)ethyl)aniline
CID 687028
10-(pyridin-2-ylmethyl)decahydroacridine-4a,10a(2H,10H)-dicarbonitrile
CID 657464
2-[1-(Pyridin-3-ylamino)ethylidene]propanedinitrile
CID 4868616
2-[(E)-2-pyridin-2-ylethenyl]benzonitrile
CID 23195662

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile (CID 115490464) is 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile is CC1CCCCC1(CN)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile?
The InChIKey is MQSFODFRVFKGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-4-2-3-7-14(11,10-16)18-13-6-5-12(8-15)17-9-13/h5-6,9,11,18H,2-4,7,10,16H2,1H3.
What are the key properties of 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile?
5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115490464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).