3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile

C15H21N3 — CID 113269407

IUPAC3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile
SMILESCN(c1cnccc1C#N)C1CCC(C)(C)CC1
InChIInChI=1S/C15H21N3/c1-15(2)7-4-13(5-8-15)18(3)14-11-17-9-6-12(14)10-16/h6,9,11,13H,4-5,7-8H2,1-3H3
InChIKeyDVAQBDAPIAKZBM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.36
Rot. Bonds2

About 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile

3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile (PubChem CID 113269407) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile
PubChem CID113269407
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile
SMILESCN(c1cnccc1C#N)C1CCC(C)(C)CC1
InChIInChI=1S/C15H21N3/c1-15(2)7-4-13(5-8-15)18(3)14-11-17-9-6-12(14)10-16/h6,9,11,13H,4-5,7-8H2,1-3H3
InChIKeyDVAQBDAPIAKZBM-UHFFFAOYSA-N
XLogP3.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile (CID 113269407) is 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile is CN(c1cnccc1C#N)C1CCC(C)(C)CC1.
What is the InChIKey of 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile?
The InChIKey is DVAQBDAPIAKZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2)7-4-13(5-8-15)18(3)14-11-17-9-6-12(14)10-16/h6,9,11,13H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile?
3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcyclohexyl)-methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 113269407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).