2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile

C14H23N3O — CID 63287304

IUPAC2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCOCCN(CCC#N)C1CC(C)CCC1C#N
InChIInChI=1S/C14H23N3O/c1-12-4-5-13(11-16)14(10-12)17(7-3-6-15)8-9-18-2/h12-14H,3-5,7-10H2,1-2H3
InChIKeyTVISNLFTAGXOEJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.18
Rot. Bonds6

About 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile

2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile (PubChem CID 63287304) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
PubChem CID63287304
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCOCCN(CCC#N)C1CC(C)CCC1C#N
InChIInChI=1S/C14H23N3O/c1-12-4-5-13(11-16)14(10-12)17(7-3-6-15)8-9-18-2/h12-14H,3-5,7-10H2,1-2H3
InChIKeyTVISNLFTAGXOEJ-UHFFFAOYSA-N
XLogP2.18
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-cyanoethyl(2-methoxyethyl)amino]-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile (CID 63287304) is 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile is COCCN(CCC#N)C1CC(C)CCC1C#N.
What is the InChIKey of 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is TVISNLFTAGXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-4-5-13(11-16)14(10-12)17(7-3-6-15)8-9-18-2/h12-14H,3-5,7-10H2,1-2H3.
What are the key properties of 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 249.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 63287304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).