3-N,1-dibenzylcyclohexane-1,2,3-triamine

C20H27N3 — CID 154406602

IUPAC3-N,1-dibenzylcyclohexane-1,2,3-triamine
SMILESNC1C(NCc2ccccc2)CCCC1(N)Cc1ccccc1
InChIInChI=1S/C20H27N3/c21-19-18(23-15-17-10-5-2-6-11-17)12-7-13-20(19,22)14-16-8-3-1-4-9-16/h1-6,8-11,18-19,23H,7,12-15,21-22H2
InChIKeyGEYJJQKZDATPOS-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.60
Rot. Bonds5

About 3-N,1-dibenzylcyclohexane-1,2,3-triamine

3-N,1-dibenzylcyclohexane-1,2,3-triamine (PubChem CID 154406602) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 3-N,1-dibenzylcyclohexane-1,2,3-triamine.

Molecular Properties

Compound Name3-N,1-dibenzylcyclohexane-1,2,3-triamine
PubChem CID154406602
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name3-N,1-dibenzylcyclohexane-1,2,3-triamine
SMILESNC1C(NCc2ccccc2)CCCC1(N)Cc1ccccc1
InChIInChI=1S/C20H27N3/c21-19-18(23-15-17-10-5-2-6-11-17)12-7-13-20(19,22)14-16-8-3-1-4-9-16/h1-6,8-11,18-19,23H,7,12-15,21-22H2
InChIKeyGEYJJQKZDATPOS-UHFFFAOYSA-N
XLogP2.60
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-N,1-dibenzylcyclohexane-1,2,3-triamine 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 3-N,1-dibenzylcyclohexane-1,2,3-triamine?
The IUPAC name of 3-N,1-dibenzylcyclohexane-1,2,3-triamine (CID 154406602) is 3-N,1-dibenzylcyclohexane-1,2,3-triamine.
What is the SMILES notation for 3-N,1-dibenzylcyclohexane-1,2,3-triamine?
The canonical SMILES for 3-N,1-dibenzylcyclohexane-1,2,3-triamine is NC1C(NCc2ccccc2)CCCC1(N)Cc1ccccc1.
What is the InChIKey of 3-N,1-dibenzylcyclohexane-1,2,3-triamine?
The InChIKey is GEYJJQKZDATPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c21-19-18(23-15-17-10-5-2-6-11-17)12-7-13-20(19,22)14-16-8-3-1-4-9-16/h1-6,8-11,18-19,23H,7,12-15,21-22H2.
What are the key properties of 3-N,1-dibenzylcyclohexane-1,2,3-triamine?
3-N,1-dibenzylcyclohexane-1,2,3-triamine has a molecular weight of 309.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,1-dibenzylcyclohexane-1,2,3-triamine is sourced from PubChem (CID 154406602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).