3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile

C15H21N3 — CID 79871903

IUPAC3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile
SMILESCC1(C)CCCCC1NCc1cccnc1C#N
InChIInChI=1S/C15H21N3/c1-15(2)8-4-3-7-14(15)18-11-12-6-5-9-17-13(12)10-16/h5-6,9,14,18H,3-4,7-8,11H2,1-2H3
InChIKeyOQPQUQCXAXRWAK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds3

About 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile

3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 79871903) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID79871903
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile
SMILESCC1(C)CCCCC1NCc1cccnc1C#N
InChIInChI=1S/C15H21N3/c1-15(2)8-4-3-7-14(15)18-11-12-6-5-9-17-13(12)10-16/h5-6,9,14,18H,3-4,7-8,11H2,1-2H3
InChIKeyOQPQUQCXAXRWAK-UHFFFAOYSA-N
XLogP3.01
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile (CID 79871903) is 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile is CC1(C)CCCCC1NCc1cccnc1C#N.
What is the InChIKey of 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is OQPQUQCXAXRWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2)8-4-3-7-14(15)18-11-12-6-5-9-17-13(12)10-16/h5-6,9,14,18H,3-4,7-8,11H2,1-2H3.
What are the key properties of 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile?
3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 79871903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).