(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine

C10H14F3N — CID 89033831

IUPAC(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESC=C(/C=C(\C=C/N)C(F)(F)F)C(C)C
InChIInChI=1S/C10H14F3N/c1-7(2)8(3)6-9(4-5-14)10(11,12)13/h4-7H,3,14H2,1-2H3/b5-4-,9-6+
InChIKeyIRMMWPGTVDSTQE-KMOPYBJPSA-N
MW205.22 g/mol
LogP3.16
Rot. Bonds3

About (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine

(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine (PubChem CID 89033831) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine
PubChem CID89033831
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESC=C(/C=C(\C=C/N)C(F)(F)F)C(C)C
InChIInChI=1S/C10H14F3N/c1-7(2)8(3)6-9(4-5-14)10(11,12)13/h4-7H,3,14H2,1-2H3/b5-4-,9-6+
InChIKeyIRMMWPGTVDSTQE-KMOPYBJPSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-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

(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 87085214
(1E,3Z,6E)-1,6-difluoro-4-methylhepta-1,3,6-triene-1,7-diamine
CID 87422780
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(2Z)-2-methyl-4-(trifluoromethyl)hepta-2,6-dien-1-amine
CID 89073932
[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
CID 89074114
(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89129506
(1Z,3E)-4-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89140156
(1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89189756
(1E,3Z)-2-fluoro-5-methylidenehepta-1,3-dien-1-amine
CID 90048199
(1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine
CID 90436398
2-but-3-en-2-yl-6,6,6-trifluoro-N-methoxy-5-methylhexa-1,3-dien-1-amine
CID 90976940
(3E,4Z)-3-ethylidene-2,2-difluorohepta-4,6-dien-1-amine
CID 118248766

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine (CID 89033831) is (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine is C=C(/C=C(\C=C/N)C(F)(F)F)C(C)C.
What is the InChIKey of (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The InChIKey is IRMMWPGTVDSTQE-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H14F3N/c1-7(2)8(3)6-9(4-5-14)10(11,12)13/h4-7H,3,14H2,1-2H3/b5-4-,9-6+.
What are the key properties of (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine has a molecular weight of 205.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine is sourced from PubChem (CID 89033831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).