(2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine

C10H14F3N — CID 146671387

IUPAC(2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C(\C=C(/C)NC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-7(2)9(10(11,12)13)6-8(3)14-4/h5-6,14H,1H2,2-4H3/b8-6+,9-7+
InChIKeyYXWHXKMCMTWDIH-CDJQDVQCSA-N
MW205.22 g/mol
LogP3.17
Rot. Bonds3

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

(2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine (PubChem CID 146671387) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
PubChem CID146671387
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C(\C=C(/C)NC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-7(2)9(10(11,12)13)6-8(3)14-4/h5-6,14H,1H2,2-4H3/b8-6+,9-7+
InChIKeyYXWHXKMCMTWDIH-CDJQDVQCSA-N
XLogP3.17
TPSA12.03 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethyl-1,4-Azepin
CID 21560535
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
(2Z,4Z)-1,1,1-trifluoro-N-methyl-4-(trifluoromethyl)octa-2,4-dien-2-amine
CID 117913821
(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 121264680
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
6-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 126694524

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine (CID 146671387) is (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine is C=C/C(C)=C(\C=C(/C)NC)C(F)(F)F.
What is the InChIKey of (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The InChIKey is YXWHXKMCMTWDIH-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H14F3N/c1-5-7(2)9(10(11,12)13)6-8(3)14-4/h5-6,14H,1H2,2-4H3/b8-6+,9-7+.
What are the key properties of (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
(2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine has a molecular weight of 205.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 146671387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).