1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile

C16H25N — CID 79550902

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(CC2CC3CCC2C3)CC1
InChIInChI=1S/C16H25N/c1-12-4-6-16(11-17,7-5-12)10-15-9-13-2-3-14(15)8-13/h12-15H,2-10H2,1H3
InChIKeyKCZKWRVXNVOBPJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.53
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile (PubChem CID 79550902) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile
PubChem CID79550902
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(CC2CC3CCC2C3)CC1
InChIInChI=1S/C16H25N/c1-12-4-6-16(11-17,7-5-12)10-15-9-13-2-3-14(15)8-13/h12-15H,2-10H2,1H3
InChIKeyKCZKWRVXNVOBPJ-UHFFFAOYSA-N
XLogP4.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-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

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
CID 79559407
2-(2-bicyclo[2.2.1]heptanylmethyl)thiolane-2-carbonitrile
CID 83173273
1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile
CID 130596815
4-methyl-1-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 65376426
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol
CID 79559177
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-ol
CID 116540023
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 63682928
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one
CID 116538621
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
4-methyl-1-nonylcyclohexane-1-carbonitrile
CID 65378716
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile (CID 79550902) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)(CC2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is KCZKWRVXNVOBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-4-6-16(11-17,7-5-12)10-15-9-13-2-3-14(15)8-13/h12-15H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 231.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79550902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).