(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine

C14H18F3N — CID 143763167

IUPAC(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
SMILESC=C/C(=C\NC)C(=CC)/C=C(\C(=C)C)C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-6-11(12(7-2)9-18-5)8-13(10(3)4)14(15,16)17/h6-9,18H,2-3H2,1,4-5H3/b11-6?,12-9+,13-8+
InChIKeyBVXQFBMJRAEVAW-HJPPIFJPSA-N
MW257.30 g/mol
LogP4.29
Rot. Bonds5

About (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine

(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine (PubChem CID 143763167) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
PubChem CID143763167
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
SMILESC=C/C(=C\NC)C(=CC)/C=C(\C(=C)C)C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-6-11(12(7-2)9-18-5)8-13(10(3)4)14(15,16)17/h6-9,18H,2-3H2,1,4-5H3/b11-6?,12-9+,13-8+
InChIKeyBVXQFBMJRAEVAW-HJPPIFJPSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-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

(Z)-3-chloro-1-[4-(2-fluorophenyl)piperidin-1-yl]-2-methylbut-2-en-1-one;(1E,3E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
CID 143763165
N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide
CID 143763160
(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
CID 145087185
(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
CID 129132612
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
1-[(3E,6E)-6-ethenyl-5-ethylidene-2-methylocta-1,3,6-trien-3-yl]-1-fluorocyclopropane
CID 143763324
3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
CID 123321601
(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
CID 166818334
(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
CID 164855515
(3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene
CID 147260111
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine?
The IUPAC name of (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine (CID 143763167) is (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine.
What is the SMILES notation for (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine?
The canonical SMILES for (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine is C=C/C(=C\NC)C(=CC)/C=C(\C(=C)C)C(F)(F)F.
What is the InChIKey of (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine?
The InChIKey is BVXQFBMJRAEVAW-HJPPIFJPSA-N. The full InChI is InChI=1S/C14H18F3N/c1-6-11(12(7-2)9-18-5)8-13(10(3)4)14(15,16)17/h6-9,18H,2-3H2,1,4-5H3/b11-6?,12-9+,13-8+.
What are the key properties of (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine?
(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine is sourced from PubChem (CID 143763167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).