2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile

C14H26N2O — CID 55060731

IUPAC2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)CC(C)O)C1
InChIInChI=1S/C14H26N2O/c1-4-5-12-6-7-13(9-15)14(8-12)16(3)10-11(2)17/h11-14,17H,4-8,10H2,1-3H3
InChIKeyWLEMQCMQRQPWCY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.41
Rot. Bonds5

About 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile

2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile (PubChem CID 55060731) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
PubChem CID55060731
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)CC(C)O)C1
InChIInChI=1S/C14H26N2O/c1-4-5-12-6-7-13(9-15)14(8-12)16(3)10-11(2)17/h11-14,17H,4-8,10H2,1-3H3
InChIKeyWLEMQCMQRQPWCY-UHFFFAOYSA-N
XLogP2.41
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile (CID 55060731) is 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N(C)CC(C)O)C1.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is WLEMQCMQRQPWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-12-6-7-13(9-15)14(8-12)16(3)10-11(2)17/h11-14,17H,4-8,10H2,1-3H3.
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile?
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 238.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 55060731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).