3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile

C14H26N2 — CID 64737955

IUPAC3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2/c1-5-16(10-11(2)9-15)14-7-6-12(3)13(4)8-14/h11-14H,5-8,10H2,1-4H3
InChIKeyGGQTZVFNVQYHDL-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.29
Rot. Bonds4

About 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile

3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile (PubChem CID 64737955) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile
PubChem CID64737955
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)C1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2/c1-5-16(10-11(2)9-15)14-7-6-12(3)13(4)8-14/h11-14H,5-8,10H2,1-4H3
InChIKeyGGQTZVFNVQYHDL-UHFFFAOYSA-N
XLogP3.29
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile 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-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile (CID 64737955) is 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)C1CCC(C)C(C)C1.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is GGQTZVFNVQYHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-16(10-11(2)9-15)14-7-6-12(3)13(4)8-14/h11-14H,5-8,10H2,1-4H3.
What are the key properties of 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile?
3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 64737955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).