N-(cyclopentylmethyl)aniline

C12H17N — CID 15568533

IUPACN-(cyclopentylmethyl)aniline
SMILESc1ccc(NCC2CCCC2)cc1
InChIInChI=1S/C12H17N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h1-3,8-9,11,13H,4-7,10H2
InChIKeyOERNHCNDKNMNHM-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.29
Rot. Bonds3

About N-(cyclopentylmethyl)aniline

N-(cyclopentylmethyl)aniline (PubChem CID 15568533) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(cyclopentylmethyl)aniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)aniline
PubChem CID15568533
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-(cyclopentylmethyl)aniline
SMILESc1ccc(NCC2CCCC2)cc1
InChIInChI=1S/C12H17N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h1-3,8-9,11,13H,4-7,10H2
InChIKeyOERNHCNDKNMNHM-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(cyclopentylmethyl)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-(cyclopentylmethyl)aniline?
The IUPAC name of N-(cyclopentylmethyl)aniline (CID 15568533) is N-(cyclopentylmethyl)aniline.
What is the SMILES notation for N-(cyclopentylmethyl)aniline?
The canonical SMILES for N-(cyclopentylmethyl)aniline is c1ccc(NCC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)aniline?
The InChIKey is OERNHCNDKNMNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h1-3,8-9,11,13H,4-7,10H2.
What are the key properties of N-(cyclopentylmethyl)aniline?
N-(cyclopentylmethyl)aniline has a molecular weight of 175.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)aniline is sourced from PubChem (CID 15568533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).