4-[(2-methylcyclohexyl)amino]benzonitrile

C14H18N2 — CID 43178854

IUPAC4-[(2-methylcyclohexyl)amino]benzonitrile
SMILESCC1CCCCC1Nc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2/c1-11-4-2-3-5-14(11)16-13-8-6-12(10-15)7-9-13/h6-9,11,14,16H,2-5H2,1H3
InChIKeyVJTCQBCJJOVWOO-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.55
Rot. Bonds2

About 4-[(2-methylcyclohexyl)amino]benzonitrile

4-[(2-methylcyclohexyl)amino]benzonitrile (PubChem CID 43178854) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)amino]benzonitrile
PubChem CID43178854
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[(2-methylcyclohexyl)amino]benzonitrile
SMILESCC1CCCCC1Nc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2/c1-11-4-2-3-5-14(11)16-13-8-6-12(10-15)7-9-13/h6-9,11,14,16H,2-5H2,1H3
InChIKeyVJTCQBCJJOVWOO-UHFFFAOYSA-N
XLogP3.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)amino]benzonitrile?
The IUPAC name of 4-[(2-methylcyclohexyl)amino]benzonitrile (CID 43178854) is 4-[(2-methylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 4-[(2-methylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 4-[(2-methylcyclohexyl)amino]benzonitrile is CC1CCCCC1Nc1ccc(C#N)cc1.
What is the InChIKey of 4-[(2-methylcyclohexyl)amino]benzonitrile?
The InChIKey is VJTCQBCJJOVWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-4-2-3-5-14(11)16-13-8-6-12(10-15)7-9-13/h6-9,11,14,16H,2-5H2,1H3.
What are the key properties of 4-[(2-methylcyclohexyl)amino]benzonitrile?
4-[(2-methylcyclohexyl)amino]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 43178854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).