(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine

C22H36FN — CID 174349263

IUPAC(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
SMILESC/C=C(CC)\N=C(/CC)CCC/C(=C(F)\C(C)=C/C=C/C)C(C)C
InChIInChI=1S/C22H36FN/c1-8-12-14-18(7)22(23)21(17(5)6)16-13-15-20(11-4)24-19(9-2)10-3/h8-9,12,14,17H,10-11,13,15-16H2,1-7H3/b12-8+,18-14-,19-9-,22-21-,24-20+
InChIKeyPGNPCZWZCNCTDI-SCLXAFGDSA-N
MW333.54 g/mol
LogP7.72
Rot. Bonds10

About (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine

(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine (PubChem CID 174349263) has the molecular formula C22H36FN and a molecular weight of 333.54 g/mol. Its IUPAC name is (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine.

Molecular Properties

Compound Name(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
PubChem CID174349263
Molecular FormulaC22H36FN
Molecular Weight333.54 g/mol
Exact Mass333.28
IUPAC Name(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
SMILESC/C=C(CC)\N=C(/CC)CCC/C(=C(F)\C(C)=C/C=C/C)C(C)C
InChIInChI=1S/C22H36FN/c1-8-12-14-18(7)22(23)21(17(5)6)16-13-15-20(11-4)24-19(9-2)10-3/h8-9,12,14,17H,10-11,13,15-16H2,1-7H3/b12-8+,18-14-,19-9-,22-21-,24-20+
InChIKeyPGNPCZWZCNCTDI-SCLXAFGDSA-N
XLogP7.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.54
LogP ≤ 57.72
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 (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine?
The IUPAC name of (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine (CID 174349263) is (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine.
What is the SMILES notation for (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine?
The canonical SMILES for (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine is C/C=C(CC)\N=C(/CC)CCC/C(=C(F)\C(C)=C/C=C/C)C(C)C.
What is the InChIKey of (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine?
The InChIKey is PGNPCZWZCNCTDI-SCLXAFGDSA-N. The full InChI is InChI=1S/C22H36FN/c1-8-12-14-18(7)22(23)21(17(5)6)16-13-15-20(11-4)24-19(9-2)10-3/h8-9,12,14,17H,10-11,13,15-16H2,1-7H3/b12-8+,18-14-,19-9-,22-21-,24-20+.
What are the key properties of (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine?
(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine has a molecular weight of 333.54 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine is sourced from PubChem (CID 174349263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).