(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine

C16H26FN — CID 143491216

IUPAC(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
SMILESC=C(/C=C(F)\C=C/C)C(CC)/C(CCCC)=N/C
InChIInChI=1S/C16H26FN/c1-6-9-11-16(18-5)15(8-3)13(4)12-14(17)10-7-2/h7,10,12,15H,4,6,8-9,11H2,1-3,5H3/b10-7-,14-12+,18-16+
InChIKeyPZTIZBVUCMAWTL-GHTCGNQISA-N
MW251.39 g/mol
LogP5.26
Rot. Bonds8

About (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine

(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine (PubChem CID 143491216) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine.

Molecular Properties

Compound Name(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
PubChem CID143491216
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
SMILESC=C(/C=C(F)\C=C/C)C(CC)/C(CCCC)=N/C
InChIInChI=1S/C16H26FN/c1-6-9-11-16(18-5)15(8-3)13(4)12-14(17)10-7-2/h7,10,12,15H,4,6,8-9,11H2,1-3,5H3/b10-7-,14-12+,18-16+
InChIKeyPZTIZBVUCMAWTL-GHTCGNQISA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.39
LogP ≤ 55.26
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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Related Compounds

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(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine
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Frequently Asked Questions

What is the IUPAC name of (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine?
The IUPAC name of (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine (CID 143491216) is (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine.
What is the SMILES notation for (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine?
The canonical SMILES for (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine is C=C(/C=C(F)\C=C/C)C(CC)/C(CCCC)=N/C.
What is the InChIKey of (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine?
The InChIKey is PZTIZBVUCMAWTL-GHTCGNQISA-N. The full InChI is InChI=1S/C16H26FN/c1-6-9-11-16(18-5)15(8-3)13(4)12-14(17)10-7-2/h7,10,12,15H,4,6,8-9,11H2,1-3,5H3/b10-7-,14-12+,18-16+.
What are the key properties of (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine?
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine has a molecular weight of 251.39 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine is sourced from PubChem (CID 143491216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).