(8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine

C25H42FN — CID 134591212

IUPAC(8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine
SMILESC=C(C)CC(CC/C=C/C=C(C)\C=C(\F)C/C(C)=C\C)C(N)(CC)CCC
InChIInChI=1S/C25H42FN/c1-8-16-25(27,10-3)23(17-20(4)5)15-13-11-12-14-22(7)19-24(26)18-21(6)9-2/h9,11-12,14,19,23H,4,8,10,13,15-18,27H2,1-3,5-7H3/b12-11+,21-9-,22-14-,24-19+
InChIKeyDUUWGISWVMPTED-BQNIFNJASA-N
MW375.62 g/mol
LogP7.97
Rot. Bonds13

About (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine

(8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine (PubChem CID 134591212) has the molecular formula C25H42FN and a molecular weight of 375.62 g/mol. Its IUPAC name is (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine.

Molecular Properties

Compound Name(8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine
PubChem CID134591212
Molecular FormulaC25H42FN
Molecular Weight375.62 g/mol
Exact Mass375.33
IUPAC Name(8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine
SMILESC=C(C)CC(CC/C=C/C=C(C)\C=C(\F)C/C(C)=C\C)C(N)(CC)CCC
InChIInChI=1S/C25H42FN/c1-8-16-25(27,10-3)23(17-20(4)5)15-13-11-12-14-22(7)19-24(26)18-21(6)9-2/h9,11-12,14,19,23H,4,8,10,13,15-18,27H2,1-3,5-7H3/b12-11+,21-9-,22-14-,24-19+
InChIKeyDUUWGISWVMPTED-BQNIFNJASA-N
XLogP7.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.62
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine?
The IUPAC name of (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine (CID 134591212) is (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine.
What is the SMILES notation for (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine?
The canonical SMILES for (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine is C=C(C)CC(CC/C=C/C=C(C)\C=C(\F)C/C(C)=C\C)C(N)(CC)CCC.
What is the InChIKey of (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine?
The InChIKey is DUUWGISWVMPTED-BQNIFNJASA-N. The full InChI is InChI=1S/C25H42FN/c1-8-16-25(27,10-3)23(17-20(4)5)15-13-11-12-14-22(7)19-24(26)18-21(6)9-2/h9,11-12,14,19,23H,4,8,10,13,15-18,27H2,1-3,5-7H3/b12-11+,21-9-,22-14-,24-19+.
What are the key properties of (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine?
(8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine has a molecular weight of 375.62 g/mol, XLogP of 7.97, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine is sourced from PubChem (CID 134591212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).