4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile

C14H27N3 — CID 117039611

IUPAC4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(C)CC(C)(C)C)CC1
InChIInChI=1S/C14H27N3/c1-13(2,3)11-17(5)12-6-8-14(10-15,16-4)9-7-12/h12,16H,6-9,11H2,1-5H3
InChIKeyLSUHKHBHRCJBBH-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds3

About 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile

4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile (PubChem CID 117039611) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
PubChem CID117039611
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(C)CC(C)(C)C)CC1
InChIInChI=1S/C14H27N3/c1-13(2,3)11-17(5)12-6-8-14(10-15,16-4)9-7-12/h12,16H,6-9,11H2,1-5H3
InChIKeyLSUHKHBHRCJBBH-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-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 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile (CID 117039611) is 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile is CNC1(C#N)CCC(N(C)CC(C)(C)C)CC1.
What is the InChIKey of 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile?
The InChIKey is LSUHKHBHRCJBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-13(2,3)11-17(5)12-6-8-14(10-15,16-4)9-7-12/h12,16H,6-9,11H2,1-5H3.
What are the key properties of 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile?
4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 117039611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).