(Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine

C12H22FN — CID 146537166

IUPAC(Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine
SMILESC/C=C(/CCC1(F)CC(C)C1)CNC
InChIInChI=1S/C12H22FN/c1-4-11(9-14-3)5-6-12(13)7-10(2)8-12/h4,10,14H,5-9H2,1-3H3/b11-4-
InChIKeyVVOHKAXJQKYQHX-WCIBSUBMSA-N
MW199.31 g/mol
LogP3.07
Rot. Bonds5

About (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine

(Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine (PubChem CID 146537166) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine
PubChem CID146537166
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine
SMILESC/C=C(/CCC1(F)CC(C)C1)CNC
InChIInChI=1S/C12H22FN/c1-4-11(9-14-3)5-6-12(13)7-10(2)8-12/h4,10,14H,5-9H2,1-3H3/b11-4-
InChIKeyVVOHKAXJQKYQHX-WCIBSUBMSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-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 (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine (CID 146537166) is (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine is C/C=C(/CCC1(F)CC(C)C1)CNC.
What is the InChIKey of (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine?
The InChIKey is VVOHKAXJQKYQHX-WCIBSUBMSA-N. The full InChI is InChI=1S/C12H22FN/c1-4-11(9-14-3)5-6-12(13)7-10(2)8-12/h4,10,14H,5-9H2,1-3H3/b11-4-.
What are the key properties of (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine?
(Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine is sourced from PubChem (CID 146537166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).