(3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine

C28H50FN — CID 166907353

IUPAC(3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine
SMILESC=C(NC)/C(=C(/C)C(CC)(CC)CC(C)/C(F)=C(C)\C(=C/CC)CCCC)C(C)C
InChIInChI=1S/C28H50FN/c1-12-16-18-25(17-13-2)22(8)27(29)21(7)19-28(14-3,15-4)23(9)26(20(5)6)24(10)30-11/h17,20-21,30H,10,12-16,18-19H2,1-9,11H3/b25-17-,26-23-,27-22+
InChIKeyXPSGXFSXHLPZEQ-QTXFFUDOSA-N
MW419.71 g/mol
LogP9.29
Rot. Bonds14

About (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine

(3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine (PubChem CID 166907353) has the molecular formula C28H50FN and a molecular weight of 419.71 g/mol. Its IUPAC name is (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine.

Molecular Properties

Compound Name(3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine
PubChem CID166907353
Molecular FormulaC28H50FN
Molecular Weight419.71 g/mol
Exact Mass419.39
IUPAC Name(3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine
SMILESC=C(NC)/C(=C(/C)C(CC)(CC)CC(C)/C(F)=C(C)\C(=C/CC)CCCC)C(C)C
InChIInChI=1S/C28H50FN/c1-12-16-18-25(17-13-2)22(8)27(29)21(7)19-28(14-3,15-4)23(9)26(20(5)6)24(10)30-11/h17,20-21,30H,10,12-16,18-19H2,1-9,11H3/b25-17-,26-23-,27-22+
InChIKeyXPSGXFSXHLPZEQ-QTXFFUDOSA-N
XLogP9.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.71
LogP ≤ 59.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine?
The IUPAC name of (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine (CID 166907353) is (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine.
What is the SMILES notation for (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine?
The canonical SMILES for (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine is C=C(NC)/C(=C(/C)C(CC)(CC)CC(C)/C(F)=C(C)\C(=C/CC)CCCC)C(C)C.
What is the InChIKey of (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine?
The InChIKey is XPSGXFSXHLPZEQ-QTXFFUDOSA-N. The full InChI is InChI=1S/C28H50FN/c1-12-16-18-25(17-13-2)22(8)27(29)21(7)19-28(14-3,15-4)23(9)26(20(5)6)24(10)30-11/h17,20-21,30H,10,12-16,18-19H2,1-9,11H3/b25-17-,26-23-,27-22+.
What are the key properties of (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine?
(3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine has a molecular weight of 419.71 g/mol, XLogP of 9.29, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine is sourced from PubChem (CID 166907353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).