(E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine

C13H23F2NO — CID 114225477

IUPAC(E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C/CC1CCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-17-10-9-16-8-4-2-3-5-12-6-7-13(14,15)11-12/h2-3,12,16H,4-11H2,1H3/b3-2+
InChIKeyBPPIRKLDDUEQDG-NSCUHMNNSA-N
MW247.33 g/mol
LogP2.99
Rot. Bonds8

About (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine

(E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 114225477) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID114225477
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name(E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C/CC1CCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-17-10-9-16-8-4-2-3-5-12-6-7-13(14,15)11-12/h2-3,12,16H,4-11H2,1H3/b3-2+
InChIKeyBPPIRKLDDUEQDG-NSCUHMNNSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine 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 (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 114225477) is (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCC/C=C/CC1CCC(F)(F)C1.
What is the InChIKey of (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is BPPIRKLDDUEQDG-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-17-10-9-16-8-4-2-3-5-12-6-7-13(14,15)11-12/h2-3,12,16H,4-11H2,1H3/b3-2+.
What are the key properties of (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
(E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 247.33 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 114225477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).