N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine

C15H24N2 — CID 114547321

IUPACN'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine
SMILESCC1CCC(NCCC(N)c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12-7-8-14(11-12)17-10-9-15(16)13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3
InChIKeyDRULSJPDNXLEGN-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.85
Rot. Bonds5

About N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine

N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine (PubChem CID 114547321) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine
PubChem CID114547321
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine
SMILESCC1CCC(NCCC(N)c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12-7-8-14(11-12)17-10-9-15(16)13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3
InChIKeyDRULSJPDNXLEGN-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-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 N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine (CID 114547321) is N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine is CC1CCC(NCCC(N)c2ccccc2)C1.
What is the InChIKey of N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine?
The InChIKey is DRULSJPDNXLEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-7-8-14(11-12)17-10-9-15(16)13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3.
What are the key properties of N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine?
N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 114547321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).