(3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine

C25H44FN — CID 134381686

IUPAC(3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine
SMILESC=C(CC)/C(C)=C\C(C)=C(/C)C(=C)NC(C)(CCC)CCCCC(C)(C)F
InChIInChI=1S/C25H44FN/c1-11-15-25(10,17-14-13-16-24(8,9)26)27-23(7)22(6)21(5)18-20(4)19(3)12-2/h18,27H,3,7,11-17H2,1-2,4-6,8-10H3/b20-18-,22-21+
InChIKeyWYRKLSPDIYEWAX-YALZWYRPSA-N
MW377.63 g/mol
LogP8.21
Rot. Bonds13

About (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine

(3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine (PubChem CID 134381686) has the molecular formula C25H44FN and a molecular weight of 377.63 g/mol. Its IUPAC name is (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine
PubChem CID134381686
Molecular FormulaC25H44FN
Molecular Weight377.63 g/mol
Exact Mass377.35
IUPAC Name(3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine
SMILESC=C(CC)/C(C)=C\C(C)=C(/C)C(=C)NC(C)(CCC)CCCCC(C)(C)F
InChIInChI=1S/C25H44FN/c1-11-15-25(10,17-14-13-16-24(8,9)26)27-23(7)22(6)21(5)18-20(4)19(3)12-2/h18,27H,3,7,11-17H2,1-2,4-6,8-10H3/b20-18-,22-21+
InChIKeyWYRKLSPDIYEWAX-YALZWYRPSA-N
XLogP8.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.63
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine (CID 134381686) is (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine is C=C(CC)/C(C)=C\C(C)=C(/C)C(=C)NC(C)(CCC)CCCCC(C)(C)F.
What is the InChIKey of (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine?
The InChIKey is WYRKLSPDIYEWAX-YALZWYRPSA-N. The full InChI is InChI=1S/C25H44FN/c1-11-15-25(10,17-14-13-16-24(8,9)26)27-23(7)22(6)21(5)18-20(4)19(3)12-2/h18,27H,3,7,11-17H2,1-2,4-6,8-10H3/b20-18-,22-21+.
What are the key properties of (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine?
(3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine has a molecular weight of 377.63 g/mol, XLogP of 8.21, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-(9-fluoro-4,9-dimethyldecan-4-yl)-3,4,6-trimethyl-7-methylidenenona-1,3,5-trien-2-amine is sourced from PubChem (CID 134381686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).