(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine

C18H32FN — CID 170260209

IUPAC(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
SMILESCC/N=C(\C(C)C)C(C)/C(=C\C=C(/C)F)CC(C)CC
InChIInChI=1S/C18H32FN/c1-8-14(5)12-17(11-10-15(6)19)16(7)18(13(3)4)20-9-2/h10-11,13-14,16H,8-9,12H2,1-7H3/b15-10+,17-11-,20-18+
InChIKeyZLKSNBDGRXVJIA-PNDLAQAPSA-N
MW281.46 g/mol
LogP5.98
Rot. Bonds8

About (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine

(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine (PubChem CID 170260209) has the molecular formula C18H32FN and a molecular weight of 281.46 g/mol. Its IUPAC name is (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine.

Molecular Properties

Compound Name(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
PubChem CID170260209
Molecular FormulaC18H32FN
Molecular Weight281.46 g/mol
Exact Mass281.25
IUPAC Name(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
SMILESCC/N=C(\C(C)C)C(C)/C(=C\C=C(/C)F)CC(C)CC
InChIInChI=1S/C18H32FN/c1-8-14(5)12-17(11-10-15(6)19)16(7)18(13(3)4)20-9-2/h10-11,13-14,16H,8-9,12H2,1-7H3/b15-10+,17-11-,20-18+
InChIKeyZLKSNBDGRXVJIA-PNDLAQAPSA-N
XLogP5.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine?
The IUPAC name of (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine (CID 170260209) is (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine.
What is the SMILES notation for (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine?
The canonical SMILES for (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine is CC/N=C(\C(C)C)C(C)/C(=C\C=C(/C)F)CC(C)CC.
What is the InChIKey of (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine?
The InChIKey is ZLKSNBDGRXVJIA-PNDLAQAPSA-N. The full InChI is InChI=1S/C18H32FN/c1-8-14(5)12-17(11-10-15(6)19)16(7)18(13(3)4)20-9-2/h10-11,13-14,16H,8-9,12H2,1-7H3/b15-10+,17-11-,20-18+.
What are the key properties of (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine?
(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine has a molecular weight of 281.46 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine is sourced from PubChem (CID 170260209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).