N-(3-chlorobutyl)cyclopentanamine

C9H18ClN — CID 82936490

IUPACN-(3-chlorobutyl)cyclopentanamine
SMILESCC(Cl)CCNC1CCCC1
InChIInChI=1S/C9H18ClN/c1-8(10)6-7-11-9-4-2-3-5-9/h8-9,11H,2-7H2,1H3
InChIKeyGKNIBDXEQPZFSC-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.54
Rot. Bonds4

About N-(3-chlorobutyl)cyclopentanamine

N-(3-chlorobutyl)cyclopentanamine (PubChem CID 82936490) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-(3-chlorobutyl)cyclopentanamine.

Molecular Properties

Compound NameN-(3-chlorobutyl)cyclopentanamine
PubChem CID82936490
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-(3-chlorobutyl)cyclopentanamine
SMILESCC(Cl)CCNC1CCCC1
InChIInChI=1S/C9H18ClN/c1-8(10)6-7-11-9-4-2-3-5-9/h8-9,11H,2-7H2,1H3
InChIKeyGKNIBDXEQPZFSC-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(3-chlorobutyl)cyclopentanamine 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-chlorobutyl)cyclopentanamine?
The IUPAC name of N-(3-chlorobutyl)cyclopentanamine (CID 82936490) is N-(3-chlorobutyl)cyclopentanamine.
What is the SMILES notation for N-(3-chlorobutyl)cyclopentanamine?
The canonical SMILES for N-(3-chlorobutyl)cyclopentanamine is CC(Cl)CCNC1CCCC1.
What is the InChIKey of N-(3-chlorobutyl)cyclopentanamine?
The InChIKey is GKNIBDXEQPZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-8(10)6-7-11-9-4-2-3-5-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(3-chlorobutyl)cyclopentanamine?
N-(3-chlorobutyl)cyclopentanamine has a molecular weight of 175.70 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)cyclopentanamine is sourced from PubChem (CID 82936490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).