4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine

C16H26N2 — CID 79121272

IUPAC4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
SMILESCN(CCCc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C16H26N2/c1-18(16-11-9-15(17)10-12-16)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyCIOOQJTZWTZLOA-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds5

About 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine (PubChem CID 79121272) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
PubChem CID79121272
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
SMILESCN(CCCc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C16H26N2/c1-18(16-11-9-15(17)10-12-16)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyCIOOQJTZWTZLOA-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine 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-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine (CID 79121272) is 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine is CN(CCCc1ccccc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine?
The InChIKey is CIOOQJTZWTZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-18(16-11-9-15(17)10-12-16)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3.
What are the key properties of 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79121272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).