N-(3-cyclopentyl-2-methylpropyl)aniline

C15H23N — CID 102494988

IUPACN-(3-cyclopentyl-2-methylpropyl)aniline
SMILESCC(CNc1ccccc1)CC1CCCC1
InChIInChI=1S/C15H23N/c1-13(11-14-7-5-6-8-14)12-16-15-9-3-2-4-10-15/h2-4,9-10,13-14,16H,5-8,11-12H2,1H3
InChIKeyBBQFGVUHOWHGPJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.31
Rot. Bonds5

About N-(3-cyclopentyl-2-methylpropyl)aniline

N-(3-cyclopentyl-2-methylpropyl)aniline (PubChem CID 102494988) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(3-cyclopentyl-2-methylpropyl)aniline.

Molecular Properties

Compound NameN-(3-cyclopentyl-2-methylpropyl)aniline
PubChem CID102494988
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(3-cyclopentyl-2-methylpropyl)aniline
SMILESCC(CNc1ccccc1)CC1CCCC1
InChIInChI=1S/C15H23N/c1-13(11-14-7-5-6-8-14)12-16-15-9-3-2-4-10-15/h2-4,9-10,13-14,16H,5-8,11-12H2,1H3
InChIKeyBBQFGVUHOWHGPJ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-cyclopentyl-2-methylpropyl)aniline 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-cyclopentyl-2-methylpropyl)aniline?
The IUPAC name of N-(3-cyclopentyl-2-methylpropyl)aniline (CID 102494988) is N-(3-cyclopentyl-2-methylpropyl)aniline.
What is the SMILES notation for N-(3-cyclopentyl-2-methylpropyl)aniline?
The canonical SMILES for N-(3-cyclopentyl-2-methylpropyl)aniline is CC(CNc1ccccc1)CC1CCCC1.
What is the InChIKey of N-(3-cyclopentyl-2-methylpropyl)aniline?
The InChIKey is BBQFGVUHOWHGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-13(11-14-7-5-6-8-14)12-16-15-9-3-2-4-10-15/h2-4,9-10,13-14,16H,5-8,11-12H2,1H3.
What are the key properties of N-(3-cyclopentyl-2-methylpropyl)aniline?
N-(3-cyclopentyl-2-methylpropyl)aniline has a molecular weight of 217.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-2-methylpropyl)aniline is sourced from PubChem (CID 102494988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).