(Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine

C12H22F3N — CID 144718897

IUPAC(Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine
SMILESCCCC(/C=C(/CC)C(F)(F)F)CCNC
InChIInChI=1S/C12H22F3N/c1-4-6-10(7-8-16-3)9-11(5-2)12(13,14)15/h9-10,16H,4-8H2,1-3H3/b11-9-
InChIKeyWTITXYHLQOLKFJ-LUAWRHEFSA-N
MW237.31 g/mol
LogP3.91
Rot. Bonds7

About (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine

(Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine (PubChem CID 144718897) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine
PubChem CID144718897
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name(Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine
SMILESCCCC(/C=C(/CC)C(F)(F)F)CCNC
InChIInChI=1S/C12H22F3N/c1-4-6-10(7-8-16-3)9-11(5-2)12(13,14)15/h9-10,16H,4-8H2,1-3H3/b11-9-
InChIKeyWTITXYHLQOLKFJ-LUAWRHEFSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-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-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
(Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine
CID 89198945
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
CID 123484686

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine (CID 144718897) is (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine is CCCC(/C=C(/CC)C(F)(F)F)CCNC.
What is the InChIKey of (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine?
The InChIKey is WTITXYHLQOLKFJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H22F3N/c1-4-6-10(7-8-16-3)9-11(5-2)12(13,14)15/h9-10,16H,4-8H2,1-3H3/b11-9-.
What are the key properties of (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine?
(Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine is sourced from PubChem (CID 144718897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).