(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine

C16H26N2 — CID 126517181

IUPAC(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine
SMILESC/N=C/C(=C\C1=CCC(C)CC1)C1CCNCC1
InChIInChI=1S/C16H26N2/c1-13-3-5-14(6-4-13)11-16(12-17-2)15-7-9-18-10-8-15/h5,11-13,15,18H,3-4,6-10H2,1-2H3/b16-11+,17-12+
InChIKeyOSXNGNRMWMCPCJ-MAEUFBSDSA-N
MW246.40 g/mol
LogP3.36
Rot. Bonds3

About (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine

(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine (PubChem CID 126517181) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine
PubChem CID126517181
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine
SMILESC/N=C/C(=C\C1=CCC(C)CC1)C1CCNCC1
InChIInChI=1S/C16H26N2/c1-13-3-5-14(6-4-13)11-16(12-17-2)15-7-9-18-10-8-15/h5,11-13,15,18H,3-4,6-10H2,1-2H3/b16-11+,17-12+
InChIKeyOSXNGNRMWMCPCJ-MAEUFBSDSA-N
XLogP3.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
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 (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine (CID 126517181) is (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine is C/N=C/C(=C\C1=CCC(C)CC1)C1CCNCC1.
What is the InChIKey of (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine?
The InChIKey is OSXNGNRMWMCPCJ-MAEUFBSDSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-3-5-14(6-4-13)11-16(12-17-2)15-7-9-18-10-8-15/h5,11-13,15,18H,3-4,6-10H2,1-2H3/b16-11+,17-12+.
What are the key properties of (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine?
(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine has a molecular weight of 246.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine is sourced from PubChem (CID 126517181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).