(3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine

C15H24N2 — CID 167290553

IUPAC(3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine
SMILESC=C/C=C1/CN(C(C)(C)CC)CC/C1=N\C=C
InChIInChI=1S/C15H24N2/c1-6-9-13-12-17(15(4,5)7-2)11-10-14(13)16-8-3/h6,8-9H,1,3,7,10-12H2,2,4-5H3/b13-9-,16-14+
InChIKeyPMPFFEAQJSCCBG-BBFLPVIRSA-N
MW232.37 g/mol
LogP3.58
Rot. Bonds4

About (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine

(3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine (PubChem CID 167290553) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine
PubChem CID167290553
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine
SMILESC=C/C=C1/CN(C(C)(C)CC)CC/C1=N\C=C
InChIInChI=1S/C15H24N2/c1-6-9-13-12-17(15(4,5)7-2)11-10-14(13)16-8-3/h6,8-9H,1,3,7,10-12H2,2,4-5H3/b13-9-,16-14+
InChIKeyPMPFFEAQJSCCBG-BBFLPVIRSA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine?
The IUPAC name of (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine (CID 167290553) is (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine.
What is the SMILES notation for (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine?
The canonical SMILES for (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine is C=C/C=C1/CN(C(C)(C)CC)CC/C1=N\C=C.
What is the InChIKey of (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine?
The InChIKey is PMPFFEAQJSCCBG-BBFLPVIRSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-9-13-12-17(15(4,5)7-2)11-10-14(13)16-8-3/h6,8-9H,1,3,7,10-12H2,2,4-5H3/b13-9-,16-14+.
What are the key properties of (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine?
(3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine has a molecular weight of 232.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-1-(2-methylbutan-2-yl)-3-prop-2-enylidenepiperidin-4-imine is sourced from PubChem (CID 167290553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).