(1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine

C11H20FN — CID 137410330

IUPAC(1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine
SMILESC/C=C\CC[C@@H]1C[C@@]1(F)[C@@H](C)NC
InChIInChI=1S/C11H20FN/c1-4-5-6-7-10-8-11(10,12)9(2)13-3/h4-5,9-10,13H,6-8H2,1-3H3/b5-4-/t9-,10-,11-/m1/s1
InChIKeyBKBVPQLPDVZXFV-LOTCAWRZSA-N
MW185.29 g/mol
LogP2.68
Rot. Bonds5

About (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine

(1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine (PubChem CID 137410330) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine
PubChem CID137410330
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine
SMILESC/C=C\CC[C@@H]1C[C@@]1(F)[C@@H](C)NC
InChIInChI=1S/C11H20FN/c1-4-5-6-7-10-8-11(10,12)9(2)13-3/h4-5,9-10,13H,6-8H2,1-3H3/b5-4-/t9-,10-,11-/m1/s1
InChIKeyBKBVPQLPDVZXFV-LOTCAWRZSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine 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 (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine?
The IUPAC name of (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine (CID 137410330) is (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine.
What is the SMILES notation for (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine?
The canonical SMILES for (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine is C/C=C\CC[C@@H]1C[C@@]1(F)[C@@H](C)NC.
What is the InChIKey of (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine?
The InChIKey is BKBVPQLPDVZXFV-LOTCAWRZSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-5-6-7-10-8-11(10,12)9(2)13-3/h4-5,9-10,13H,6-8H2,1-3H3/b5-4-/t9-,10-,11-/m1/s1.
What are the key properties of (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine?
(1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine has a molecular weight of 185.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine is sourced from PubChem (CID 137410330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).