(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine

C10H14F3N — CID 89073825

IUPAC(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
SMILESC=C(/C=C\C(=C/CC)NC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-9(14-3)7-6-8(2)10(11,12)13/h5-7,14H,2,4H2,1,3H3/b7-6-,9-5+
InChIKeyNTHCAYOEDAPDIO-QRLJIZSYSA-N
MW205.22 g/mol
LogP3.17
Rot. Bonds4

About (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine

(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine (PubChem CID 89073825) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
PubChem CID89073825
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
SMILESC=C(/C=C\C(=C/CC)NC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-9(14-3)7-6-8(2)10(11,12)13/h5-7,14H,2,4H2,1,3H3/b7-6-,9-5+
InChIKeyNTHCAYOEDAPDIO-QRLJIZSYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(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
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
2-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 89994792
5-Methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 90137192
8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine
CID 91460499
(2Z,4Z)-1,1,1-trifluoro-N-methyl-4-(trifluoromethyl)octa-2,4-dien-2-amine
CID 117913821
2-Methyl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 118214483
(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 121264680

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine?
The IUPAC name of (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine (CID 89073825) is (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine?
The canonical SMILES for (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine is C=C(/C=C\C(=C/CC)NC)C(F)(F)F.
What is the InChIKey of (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine?
The InChIKey is NTHCAYOEDAPDIO-QRLJIZSYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-5-9(14-3)7-6-8(2)10(11,12)13/h5-7,14H,2,4H2,1,3H3/b7-6-,9-5+.
What are the key properties of (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine?
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine has a molecular weight of 205.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine is sourced from PubChem (CID 89073825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).