(E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine

C11H20ClN — CID 81428866

IUPAC(E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine
SMILESCC(NC/C=C/CCl)C1CCCC1
InChIInChI=1S/C11H20ClN/c1-10(11-6-2-3-7-11)13-9-5-4-8-12/h4-5,10-11,13H,2-3,6-9H2,1H3/b5-4+
InChIKeyPCUPJHGYFJRCCF-SNAWJCMRSA-N
MW201.74 g/mol
LogP2.95
Rot. Bonds5

About (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine

(E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine (PubChem CID 81428866) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine
PubChem CID81428866
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name(E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine
SMILESCC(NC/C=C/CCl)C1CCCC1
InChIInChI=1S/C11H20ClN/c1-10(11-6-2-3-7-11)13-9-5-4-8-12/h4-5,10-11,13H,2-3,6-9H2,1H3/b5-4+
InChIKeyPCUPJHGYFJRCCF-SNAWJCMRSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine?
The IUPAC name of (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine (CID 81428866) is (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine?
The canonical SMILES for (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine is CC(NC/C=C/CCl)C1CCCC1.
What is the InChIKey of (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine?
The InChIKey is PCUPJHGYFJRCCF-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20ClN/c1-10(11-6-2-3-7-11)13-9-5-4-8-12/h4-5,10-11,13H,2-3,6-9H2,1H3/b5-4+.
What are the key properties of (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine?
(E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine has a molecular weight of 201.74 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N-(1-cyclopentylethyl)but-2-en-1-amine is sourced from PubChem (CID 81428866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).