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

C19H28N2 — CID 43291824

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)Cc2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2/c1-4-5-16-10-11-18(13-20)19(12-16)21(3)14-17-8-6-15(2)7-9-17/h6-9,16,18-19H,4-5,10-12,14H2,1-3H3
InChIKeyHLHZRZGOADTIGO-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.54
Rot. Bonds5

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

2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile (PubChem CID 43291824) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile
PubChem CID43291824
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)Cc2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2/c1-4-5-16-10-11-18(13-20)19(12-16)21(3)14-17-8-6-15(2)7-9-17/h6-9,16,18-19H,4-5,10-12,14H2,1-3H3
InChIKeyHLHZRZGOADTIGO-UHFFFAOYSA-N
XLogP4.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[methyl-[(4-methylphenyl)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-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile (CID 43291824) is 2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N(C)Cc2ccc(C)cc2)C1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is HLHZRZGOADTIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-5-16-10-11-18(13-20)19(12-16)21(3)14-17-8-6-15(2)7-9-17/h6-9,16,18-19H,4-5,10-12,14H2,1-3H3.
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile?
2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 284.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).