(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

Related Compounds

(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572

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).