(4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine

C12H18F3NO — CID 138527451

IUPAC(4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
SMILESC=C(OC)/C(=C\C=C(\N)C(C)CC)C(F)(F)F
InChIInChI=1S/C12H18F3NO/c1-5-8(2)11(16)7-6-10(9(3)17-4)12(13,14)15/h6-8H,3,5,16H2,1-2,4H3/b10-6+,11-7+
InChIKeyCFLMKIHZYXBHHG-JMQWPVDRSA-N
MW249.28 g/mol
LogP3.52
Rot. Bonds5

About (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine

(4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine (PubChem CID 138527451) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine.

Molecular Properties

Compound Name(4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
PubChem CID138527451
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name(4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
SMILESC=C(OC)/C(=C\C=C(\N)C(C)CC)C(F)(F)F
InChIInChI=1S/C12H18F3NO/c1-5-8(2)11(16)7-6-10(9(3)17-4)12(13,14)15/h6-8H,3,5,16H2,1-2,4H3/b10-6+,11-7+
InChIKeyCFLMKIHZYXBHHG-JMQWPVDRSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-(Difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
CID 135190298
(3Z,4Z)-4-ethenyl-6-ethyl-5-methoxy-3-[2-(trifluoromethyl)pent-2-enylidene]nona-1,4,6-trien-2-amine
CID 166907514
(2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine
CID 178040888
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
CID 126735355
methane;1-[(2E)-2-[(3Z)-5-methoxyhexa-3,5-dien-2-ylidene]cyclopropyl]ethenamine
CID 132265194
(3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine
CID 144664449
(3E,6Z)-2-methoxy-5,6-dimethylnona-1,3,6-trien-4-amine
CID 173942126
1-[(2E)-2-[(3Z)-5-methoxyhexa-3,5-dien-2-ylidene]cyclopropyl]ethenamine
CID 132265195
CID 178791580
CID 178791580

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine?
The IUPAC name of (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine (CID 138527451) is (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine.
What is the SMILES notation for (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine?
The canonical SMILES for (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine is C=C(OC)/C(=C\C=C(\N)C(C)CC)C(F)(F)F.
What is the InChIKey of (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine?
The InChIKey is CFLMKIHZYXBHHG-JMQWPVDRSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-5-8(2)11(16)7-6-10(9(3)17-4)12(13,14)15/h6-8H,3,5,16H2,1-2,4H3/b10-6+,11-7+.
What are the key properties of (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine?
(4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine has a molecular weight of 249.28 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine is sourced from PubChem (CID 138527451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).