(2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine

C18H28F3N — CID 166911053

IUPAC(2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine
SMILESC=C/C(CC/C=C/CNCC(C)(C)C)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C18H28F3N/c1-6-11-16(18(19,20)21)15(7-2)12-9-8-10-13-22-14-17(3,4)5/h6-8,10-11,22H,2,9,12-14H2,1,3-5H3/b10-8+,11-6-,16-15-
InChIKeyQFIFXCAGLDZWHY-WHNVJPAASA-N
MW315.42 g/mol
LogP5.58
Rot. Bonds8

About (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine

(2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine (PubChem CID 166911053) has the molecular formula C18H28F3N and a molecular weight of 315.42 g/mol. Its IUPAC name is (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine.

Molecular Properties

Compound Name(2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine
PubChem CID166911053
Molecular FormulaC18H28F3N
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC Name(2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine
SMILESC=C/C(CC/C=C/CNCC(C)(C)C)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C18H28F3N/c1-6-11-16(18(19,20)21)15(7-2)12-9-8-10-13-22-14-17(3,4)5/h6-8,10-11,22H,2,9,12-14H2,1,3-5H3/b10-8+,11-6-,16-15-
InChIKeyQFIFXCAGLDZWHY-WHNVJPAASA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine
CID 126659142
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
CID 129302973
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
CID 129313875
(3Z)-N-ethyl-2-[[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]penta-1,3-dien-3-amine
CID 135269232
(E)-5-cyclopentylidene-N-ethyl-3-fluoro-2-methylidenepent-3-en-1-amine
CID 137446355
(5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine
CID 138517685
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143

Frequently Asked Questions

What is the IUPAC name of (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine?
The IUPAC name of (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine (CID 166911053) is (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine.
What is the SMILES notation for (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine?
The canonical SMILES for (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine is C=C/C(CC/C=C/CNCC(C)(C)C)=C(\C=C/C)C(F)(F)F.
What is the InChIKey of (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine?
The InChIKey is QFIFXCAGLDZWHY-WHNVJPAASA-N. The full InChI is InChI=1S/C18H28F3N/c1-6-11-16(18(19,20)21)15(7-2)12-9-8-10-13-22-14-17(3,4)5/h6-8,10-11,22H,2,9,12-14H2,1,3-5H3/b10-8+,11-6-,16-15-.
What are the key properties of (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine?
(2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine has a molecular weight of 315.42 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8Z)-N-(2,2-dimethylpropyl)-6-ethenyl-7-(trifluoromethyl)deca-2,6,8-trien-1-amine is sourced from PubChem (CID 166911053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).