4-[(2-hydroxycyclohexyl)methylamino]benzonitrile

C14H18N2O — CID 64911456

IUPAC4-[(2-hydroxycyclohexyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCC2CCCCC2O)cc1
InChIInChI=1S/C14H18N2O/c15-9-11-5-7-13(8-6-11)16-10-12-3-1-2-4-14(12)17/h5-8,12,14,16-17H,1-4,10H2
InChIKeyPUZAIHWBDODJCX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds3

About 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile

4-[(2-hydroxycyclohexyl)methylamino]benzonitrile (PubChem CID 64911456) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)methylamino]benzonitrile
PubChem CID64911456
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[(2-hydroxycyclohexyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCC2CCCCC2O)cc1
InChIInChI=1S/C14H18N2O/c15-9-11-5-7-13(8-6-11)16-10-12-3-1-2-4-14(12)17/h5-8,12,14,16-17H,1-4,10H2
InChIKeyPUZAIHWBDODJCX-UHFFFAOYSA-N
XLogP2.52
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminoanilino)methyl]cyclohexan-1-ol
CID 64930000
2-amino-5-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 115499554
2-chloro-4-[[(1R,2S)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778487
2-chloro-4-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778489
4-amino-3-[(2-hydroxycyclopentyl)methylamino]benzonitrile
CID 104712081
4-acetyl-3-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 133458474
4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 64910626
4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60884623
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzonitrile
CID 114480410
2-[2-amino-5-[(2-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 102624457
2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol
CID 64928032

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile?
The IUPAC name of 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile (CID 64911456) is 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile is N#Cc1ccc(NCC2CCCCC2O)cc1.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile?
The InChIKey is PUZAIHWBDODJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-9-11-5-7-13(8-6-11)16-10-12-3-1-2-4-14(12)17/h5-8,12,14,16-17H,1-4,10H2.
What are the key properties of 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile?
4-[(2-hydroxycyclohexyl)methylamino]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)methylamino]benzonitrile is sourced from PubChem (CID 64911456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).