2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine

C11H20ClN — CID 65030391

IUPAC2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine
SMILESClC(CNCC1CCCC1)C1CC1
InChIInChI=1S/C11H20ClN/c12-11(10-5-6-10)8-13-7-9-3-1-2-4-9/h9-11,13H,1-8H2
InChIKeyMPFMLTRRNUMRGU-UHFFFAOYSA-N
MW201.74 g/mol
LogP2.78
Rot. Bonds5

About 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine

2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine (PubChem CID 65030391) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine
PubChem CID65030391
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine
SMILESClC(CNCC1CCCC1)C1CC1
InChIInChI=1S/C11H20ClN/c12-11(10-5-6-10)8-13-7-9-3-1-2-4-9/h9-11,13H,1-8H2
InChIKeyMPFMLTRRNUMRGU-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine 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 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine?
The IUPAC name of 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine (CID 65030391) is 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine.
What is the SMILES notation for 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine?
The canonical SMILES for 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine is ClC(CNCC1CCCC1)C1CC1.
What is the InChIKey of 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine?
The InChIKey is MPFMLTRRNUMRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c12-11(10-5-6-10)8-13-7-9-3-1-2-4-9/h9-11,13H,1-8H2.
What are the key properties of 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine?
2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine has a molecular weight of 201.74 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopentylmethyl)-2-cyclopropylethanamine is sourced from PubChem (CID 65030391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).