(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine

C27H44FN — CID 142281429

IUPAC(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(F)=C\C(=C)C(C)CCC(C)NC
InChIInChI=1S/C27H44FN/c1-11-19(2)12-13-20(3)21(4)14-15-23(6)26(9)27(28)18-24(7)22(5)16-17-25(8)29-10/h14-15,18-20,22,25,29H,4,6-7,9,11-13,16-17H2,1-3,5,8,10H3/b15-14-,27-18+
InChIKeyOTZQNPQKWXTJMU-NSMAEENOSA-N
MW401.65 g/mol
LogP8.11
Rot. Bonds15

About (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine

(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine (PubChem CID 142281429) has the molecular formula C27H44FN and a molecular weight of 401.65 g/mol. Its IUPAC name is (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine.

Molecular Properties

Compound Name(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine
PubChem CID142281429
Molecular FormulaC27H44FN
Molecular Weight401.65 g/mol
Exact Mass401.35
IUPAC Name(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(F)=C\C(=C)C(C)CCC(C)NC
InChIInChI=1S/C27H44FN/c1-11-19(2)12-13-20(3)21(4)14-15-23(6)26(9)27(28)18-24(7)22(5)16-17-25(8)29-10/h14-15,18-20,22,25,29H,4,6-7,9,11-13,16-17H2,1-3,5,8,10H3/b15-14-,27-18+
InChIKeyOTZQNPQKWXTJMU-NSMAEENOSA-N
XLogP8.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.65
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine?
The IUPAC name of (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine (CID 142281429) is (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine.
What is the SMILES notation for (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine?
The canonical SMILES for (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine is C=C(/C=C\C(=C)C(C)CCC(C)CC)C(=C)/C(F)=C\C(=C)C(C)CCC(C)NC.
What is the InChIKey of (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine?
The InChIKey is OTZQNPQKWXTJMU-NSMAEENOSA-N. The full InChI is InChI=1S/C27H44FN/c1-11-19(2)12-13-20(3)21(4)14-15-23(6)26(9)27(28)18-24(7)22(5)16-17-25(8)29-10/h14-15,18-20,22,25,29H,4,6-7,9,11-13,16-17H2,1-3,5,8,10H3/b15-14-,27-18+.
What are the key properties of (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine?
(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine has a molecular weight of 401.65 g/mol, XLogP of 8.11, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine is sourced from PubChem (CID 142281429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).