5-(dicyclohexylamino)-2,2-dimethylpentanenitrile

C19H34N2 — CID 65257781

IUPAC5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H34N2/c1-19(2,16-20)14-9-15-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h17-18H,3-15H2,1-2H3
InChIKeyWMPPKOWUHLKEMV-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.28
Rot. Bonds6

About 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile

5-(dicyclohexylamino)-2,2-dimethylpentanenitrile (PubChem CID 65257781) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
PubChem CID65257781
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H34N2/c1-19(2,16-20)14-9-15-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h17-18H,3-15H2,1-2H3
InChIKeyWMPPKOWUHLKEMV-UHFFFAOYSA-N
XLogP5.28
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
CID 65251709
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
CID 106709324
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257406
4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile
CID 102848297
N-cyclobutyl-N-(3-cyclopentylpropyl)cyclopentanamine
CID 175422584
N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
CID 60851349
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011
N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
4-[azepan-4-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 107173206
2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106613827

Frequently Asked Questions

What is the IUPAC name of 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile (CID 65257781) is 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile?
The InChIKey is WMPPKOWUHLKEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-19(2,16-20)14-9-15-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h17-18H,3-15H2,1-2H3.
What are the key properties of 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile?
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile has a molecular weight of 290.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).