(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine

C23H40FN — CID 89090365

IUPAC(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine
SMILESCC(C)=C/C(C)=C/C(C)C(N)C(C)C/C(C)=C/C=C/CC(F)C(C)C
InChIInChI=1S/C23H40FN/c1-16(2)13-19(6)15-21(8)23(25)20(7)14-18(5)11-9-10-12-22(24)17(3)4/h9-11,13,15,17,20-23H,12,14,25H2,1-8H3/b10-9+,18-11+,19-15+
InChIKeyKVEXICFLHHWMDI-NQVCMDRWSA-N
MW349.58 g/mol
LogP6.78
Rot. Bonds10

About (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine

(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine (PubChem CID 89090365) has the molecular formula C23H40FN and a molecular weight of 349.58 g/mol. Its IUPAC name is (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine.

Molecular Properties

Compound Name(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine
PubChem CID89090365
Molecular FormulaC23H40FN
Molecular Weight349.58 g/mol
Exact Mass349.31
IUPAC Name(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine
SMILESCC(C)=C/C(C)=C/C(C)C(N)C(C)C/C(C)=C/C=C/CC(F)C(C)C
InChIInChI=1S/C23H40FN/c1-16(2)13-19(6)15-21(8)23(25)20(7)14-18(5)11-9-10-12-22(24)17(3)4/h9-11,13,15,17,20-23H,12,14,25H2,1-8H3/b10-9+,18-11+,19-15+
InChIKeyKVEXICFLHHWMDI-NQVCMDRWSA-N
XLogP6.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.58
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine with MolForge

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Related Compounds

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4-Ethyl-2-fluoro-5-methylcyclohex-3-en-1-amine
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CID 130371419
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CID 134316413
1-Fluoro-3-[4-[2-(4-methylcycloheptyl)ethyl]cyclohexa-1,5-dien-1-yl]butan-2-amine
CID 134316538
1-fluoro-3-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]cyclohexa-1,5-dien-1-yl]pentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine?
The IUPAC name of (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine (CID 89090365) is (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine.
What is the SMILES notation for (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine?
The canonical SMILES for (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine is CC(C)=C/C(C)=C/C(C)C(N)C(C)C/C(C)=C/C=C/CC(F)C(C)C.
What is the InChIKey of (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine?
The InChIKey is KVEXICFLHHWMDI-NQVCMDRWSA-N. The full InChI is InChI=1S/C23H40FN/c1-16(2)13-19(6)15-21(8)23(25)20(7)14-18(5)11-9-10-12-22(24)17(3)4/h9-11,13,15,17,20-23H,12,14,25H2,1-8H3/b10-9+,18-11+,19-15+.
What are the key properties of (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine?
(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine has a molecular weight of 349.58 g/mol, XLogP of 6.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine is sourced from PubChem (CID 89090365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).