(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine

C12H22FN — CID 129210432

IUPAC(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
SMILESCC/C=C(\C=C/CF)C(C)CCNC
InChIInChI=1S/C12H22FN/c1-4-6-12(7-5-9-13)11(2)8-10-14-3/h5-7,11,14H,4,8-10H2,1-3H3/b7-5-,12-6+
InChIKeyPWJRLWLYDLBYPC-NFWBANDSSA-N
MW199.31 g/mol
LogP3.09
Rot. Bonds7

About (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine

(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine (PubChem CID 129210432) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
PubChem CID129210432
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
SMILESCC/C=C(\C=C/CF)C(C)CCNC
InChIInChI=1S/C12H22FN/c1-4-6-12(7-5-9-13)11(2)8-10-14-3/h5-7,11,14H,4,8-10H2,1-3H3/b7-5-,12-6+
InChIKeyPWJRLWLYDLBYPC-NFWBANDSSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-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)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine?
The IUPAC name of (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine (CID 129210432) is (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine.
What is the SMILES notation for (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine?
The canonical SMILES for (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine is CC/C=C(\C=C/CF)C(C)CCNC.
What is the InChIKey of (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine?
The InChIKey is PWJRLWLYDLBYPC-NFWBANDSSA-N. The full InChI is InChI=1S/C12H22FN/c1-4-6-12(7-5-9-13)11(2)8-10-14-3/h5-7,11,14H,4,8-10H2,1-3H3/b7-5-,12-6+.
What are the key properties of (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine?
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine is sourced from PubChem (CID 129210432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).