1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine

C17H28N2 — CID 62570686

IUPAC1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(C)CNC1CCCC1
InChIInChI=1S/C17H28N2/c1-4-19(17-11-7-8-14(2)12-17)15(3)13-18-16-9-5-6-10-16/h7-8,11-12,15-16,18H,4-6,9-10,13H2,1-3H3
InChIKeyCMFWNNVDJCPEFD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.74
Rot. Bonds6

About 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine

1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine (PubChem CID 62570686) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
PubChem CID62570686
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(C)CNC1CCCC1
InChIInChI=1S/C17H28N2/c1-4-19(17-11-7-8-14(2)12-17)15(3)13-18-16-9-5-6-10-16/h7-8,11-12,15-16,18H,4-6,9-10,13H2,1-3H3
InChIKeyCMFWNNVDJCPEFD-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-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 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine (CID 62570686) is 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine is CCN(c1cccc(C)c1)C(C)CNC1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine?
The InChIKey is CMFWNNVDJCPEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(17-11-7-8-14(2)12-17)15(3)13-18-16-9-5-6-10-16/h7-8,11-12,15-16,18H,4-6,9-10,13H2,1-3H3.
What are the key properties of 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine?
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 62570686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).