(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine

C24H38FN — CID 155393975

IUPAC(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine
SMILESC=C(/C=C1/CC(C)C(C)/C1=N\C)CCC(/C=C(\C)C(C)CC)=C(\F)CC
InChIInChI=1S/C24H38FN/c1-9-17(4)18(5)14-21(23(25)10-2)12-11-16(3)13-22-15-19(6)20(7)24(22)26-8/h13-14,17,19-20H,3,9-12,15H2,1-2,4-8H3/b18-14+,22-13-,23-21+,26-24+
InChIKeyMKOKQFVBDDTMSU-HJRVEGEXSA-N
MW359.57 g/mol
LogP7.62
Rot. Bonds8

About (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine

(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine (PubChem CID 155393975) has the molecular formula C24H38FN and a molecular weight of 359.57 g/mol. Its IUPAC name is (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine.

Molecular Properties

Compound Name(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine
PubChem CID155393975
Molecular FormulaC24H38FN
Molecular Weight359.57 g/mol
Exact Mass359.30
IUPAC Name(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine
SMILESC=C(/C=C1/CC(C)C(C)/C1=N\C)CCC(/C=C(\C)C(C)CC)=C(\F)CC
InChIInChI=1S/C24H38FN/c1-9-17(4)18(5)14-21(23(25)10-2)12-11-16(3)13-22-15-19(6)20(7)24(22)26-8/h13-14,17,19-20H,3,9-12,15H2,1-2,4-8H3/b18-14+,22-13-,23-21+,26-24+
InChIKeyMKOKQFVBDDTMSU-HJRVEGEXSA-N
XLogP7.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.57
LogP ≤ 57.62
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)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine?
The IUPAC name of (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine (CID 155393975) is (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine.
What is the SMILES notation for (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine?
The canonical SMILES for (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine is C=C(/C=C1/CC(C)C(C)/C1=N\C)CCC(/C=C(\C)C(C)CC)=C(\F)CC.
What is the InChIKey of (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine?
The InChIKey is MKOKQFVBDDTMSU-HJRVEGEXSA-N. The full InChI is InChI=1S/C24H38FN/c1-9-17(4)18(5)14-21(23(25)10-2)12-11-16(3)13-22-15-19(6)20(7)24(22)26-8/h13-14,17,19-20H,3,9-12,15H2,1-2,4-8H3/b18-14+,22-13-,23-21+,26-24+.
What are the key properties of (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine?
(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine has a molecular weight of 359.57 g/mol, XLogP of 7.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine is sourced from PubChem (CID 155393975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).