(5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine

C16H26FN — CID 177041311

IUPAC(5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine
SMILESC/C=C(\C=C(F)/C(=N/C(C)=C\C)C(C)CC)CC
InChIInChI=1S/C16H26FN/c1-7-12(5)16(18-13(6)8-2)15(17)11-14(9-3)10-4/h8-9,11-12H,7,10H2,1-6H3/b13-8-,14-9-,15-11+,18-16+
InChIKeyFUHMYQKLABIJJB-YZRXXYNNSA-N
MW251.39 g/mol
LogP5.61
Rot. Bonds6

About (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine

(5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine (PubChem CID 177041311) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine.

Molecular Properties

Compound Name(5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine
PubChem CID177041311
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name(5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine
SMILESC/C=C(\C=C(F)/C(=N/C(C)=C\C)C(C)CC)CC
InChIInChI=1S/C16H26FN/c1-7-12(5)16(18-13(6)8-2)15(17)11-14(9-3)10-4/h8-9,11-12H,7,10H2,1-6H3/b13-8-,14-9-,15-11+,18-16+
InChIKeyFUHMYQKLABIJJB-YZRXXYNNSA-N
XLogP5.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.39
LogP ≤ 55.61
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 (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine?
The IUPAC name of (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine (CID 177041311) is (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine.
What is the SMILES notation for (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine?
The canonical SMILES for (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine is C/C=C(\C=C(F)/C(=N/C(C)=C\C)C(C)CC)CC.
What is the InChIKey of (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine?
The InChIKey is FUHMYQKLABIJJB-YZRXXYNNSA-N. The full InChI is InChI=1S/C16H26FN/c1-7-12(5)16(18-13(6)8-2)15(17)11-14(9-3)10-4/h8-9,11-12H,7,10H2,1-6H3/b13-8-,14-9-,15-11+,18-16+.
What are the key properties of (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine?
(5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine has a molecular weight of 251.39 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine is sourced from PubChem (CID 177041311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).