(3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine

C15H26N2 — CID 176962473

IUPAC(3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine
SMILESCC/C=C1/CCC(CCC2CCC2)N/C1=N\C
InChIInChI=1S/C15H26N2/c1-3-5-13-9-11-14(17-15(13)16-2)10-8-12-6-4-7-12/h5,12,14H,3-4,6-11H2,1-2H3,(H,16,17)/b13-5-
InChIKeyJPMGFEVJSKCOAP-ACAGNQJTSA-N
MW234.39 g/mol
LogP3.68
Rot. Bonds4

About (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine

(3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine (PubChem CID 176962473) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine.

Molecular Properties

Compound Name(3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine
PubChem CID176962473
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine
SMILESCC/C=C1/CCC(CCC2CCC2)N/C1=N\C
InChIInChI=1S/C15H26N2/c1-3-5-13-9-11-14(17-15(13)16-2)10-8-12-6-4-7-12/h5,12,14H,3-4,6-11H2,1-2H3,(H,16,17)/b13-5-
InChIKeyJPMGFEVJSKCOAP-ACAGNQJTSA-N
XLogP3.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine?
The IUPAC name of (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine (CID 176962473) is (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine.
What is the SMILES notation for (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine?
The canonical SMILES for (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine is CC/C=C1/CCC(CCC2CCC2)N/C1=N\C.
What is the InChIKey of (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine?
The InChIKey is JPMGFEVJSKCOAP-ACAGNQJTSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-5-13-9-11-14(17-15(13)16-2)10-8-12-6-4-7-12/h5,12,14H,3-4,6-11H2,1-2H3,(H,16,17)/b13-5-.
What are the key properties of (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine?
(3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine has a molecular weight of 234.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine is sourced from PubChem (CID 176962473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).