(Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene

C23H40FN — CID 145299314

IUPAC(Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene
SMILESC=C(C)C(=C)F.CCCCC(/C=C(/C)C1CCCC1CCCC)=N\C
InChIInChI=1S/C18H33N.C5H7F/c1-5-7-10-16-11-9-13-18(16)15(3)14-17(19-4)12-8-6-2;1-4(2)5(3)6/h14,16,18H,5-13H2,1-4H3;1,3H2,2H3/b15-14-,19-17+;
InChIKeyXEHOEVDYESWKHN-TZJNYYINSA-N
MW349.58 g/mol
LogP7.85
Rot. Bonds9

About (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene

(Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene (PubChem CID 145299314) has the molecular formula C23H40FN and a molecular weight of 349.58 g/mol. Its IUPAC name is (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene.

Molecular Properties

Compound Name(Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene
PubChem CID145299314
Molecular FormulaC23H40FN
Molecular Weight349.58 g/mol
Exact Mass349.31
IUPAC Name(Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene
SMILESC=C(C)C(=C)F.CCCCC(/C=C(/C)C1CCCC1CCCC)=N\C
InChIInChI=1S/C18H33N.C5H7F/c1-5-7-10-16-11-9-13-18(16)15(3)14-17(19-4)12-8-6-2;1-4(2)5(3)6/h14,16,18H,5-13H2,1-4H3;1,3H2,2H3/b15-14-,19-17+;
InChIKeyXEHOEVDYESWKHN-TZJNYYINSA-N
XLogP7.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.58
LogP ≤ 57.85
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 (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene?
The IUPAC name of (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene (CID 145299314) is (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene.
What is the SMILES notation for (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene?
The canonical SMILES for (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene is C=C(C)C(=C)F.CCCCC(/C=C(/C)C1CCCC1CCCC)=N\C.
What is the InChIKey of (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene?
The InChIKey is XEHOEVDYESWKHN-TZJNYYINSA-N. The full InChI is InChI=1S/C18H33N.C5H7F/c1-5-7-10-16-11-9-13-18(16)15(3)14-17(19-4)12-8-6-2;1-4(2)5(3)6/h14,16,18H,5-13H2,1-4H3;1,3H2,2H3/b15-14-,19-17+;.
What are the key properties of (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene?
(Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene has a molecular weight of 349.58 g/mol, XLogP of 7.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-butylcyclopentyl)-N-methyloct-2-en-4-imine;2-fluoro-3-methylbuta-1,3-diene is sourced from PubChem (CID 145299314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).