4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile

C14H18N2O — CID 60929293

IUPAC4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1NC1CCC(O)CC1
InChIInChI=1S/C14H18N2O/c1-10-8-11(9-15)2-7-14(10)16-12-3-5-13(17)6-4-12/h2,7-8,12-13,16-17H,3-6H2,1H3
InChIKeyCWHPAUPUTFBDKK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.58
Rot. Bonds2

About 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile

4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile (PubChem CID 60929293) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
PubChem CID60929293
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1NC1CCC(O)CC1
InChIInChI=1S/C14H18N2O/c1-10-8-11(9-15)2-7-14(10)16-12-3-5-13(17)6-4-12/h2,7-8,12-13,16-17H,3-6H2,1H3
InChIKeyCWHPAUPUTFBDKK-UHFFFAOYSA-N
XLogP2.58
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile (CID 60929293) is 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile is Cc1cc(C#N)ccc1NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile?
The InChIKey is CWHPAUPUTFBDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-8-11(9-15)2-7-14(10)16-12-3-5-13(17)6-4-12/h2,7-8,12-13,16-17H,3-6H2,1H3.
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile?
4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile is sourced from PubChem (CID 60929293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).