4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile

C14H26N2 — CID 115150321

IUPAC4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile
SMILESCC(C)C(C)(C)CNC1CCC(C#N)CC1
InChIInChI=1S/C14H26N2/c1-11(2)14(3,4)10-16-13-7-5-12(9-15)6-8-13/h11-13,16H,5-8,10H2,1-4H3
InChIKeyWBIUJSISHDBVNR-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.34
Rot. Bonds4

About 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile

4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile (PubChem CID 115150321) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile
PubChem CID115150321
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile
SMILESCC(C)C(C)(C)CNC1CCC(C#N)CC1
InChIInChI=1S/C14H26N2/c1-11(2)14(3,4)10-16-13-7-5-12(9-15)6-8-13/h11-13,16H,5-8,10H2,1-4H3
InChIKeyWBIUJSISHDBVNR-UHFFFAOYSA-N
XLogP3.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2,3-trimethylbutylamino)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

Related Compounds

N-(2,2,3-trimethylbutyl)oxepan-4-amine
CID 102613607
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]cyclohexane-1-carbonitrile
CID 115150326
3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine
CID 114099437
4-(butylamino)cyclohexane-1-carbonitrile;ethane
CID 142246575
1-(cyclohexylamino)-2,2,4-trimethylpentan-3-ol
CID 109380064
5-(cyclopentylamino)-4,4-dimethylpentanenitrile
CID 115910566
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
5-(cyclohexylamino)-4,4-dimethylpentanenitrile
CID 115651344
4-propan-2-ylcyclohexane-1-carbonitrile
CID 160915372
2-(cyclopentylamino)-N-(2,2,3-trimethylbutyl)acetamide
CID 114100118
2-methyl-1-[(4-propan-2-ylcycloheptyl)amino]butan-2-ol
CID 65102608

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile (CID 115150321) is 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile is CC(C)C(C)(C)CNC1CCC(C#N)CC1.
What is the InChIKey of 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile?
The InChIKey is WBIUJSISHDBVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)14(3,4)10-16-13-7-5-12(9-15)6-8-13/h11-13,16H,5-8,10H2,1-4H3.
What are the key properties of 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile?
4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile has a molecular weight of 222.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3-trimethylbutylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).