(6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane

C19H32N2 — CID 170589248

IUPAC(6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane
SMILESCC.CC/C=C1/C=C(CN2CCCCC2)C=C(C)/C1=N\C
InChIInChI=1S/C17H26N2.C2H6/c1-4-8-16-12-15(11-14(2)17(16)18-3)13-19-9-6-5-7-10-19;1-2/h8,11-12H,4-7,9-10,13H2,1-3H3;1-2H3/b16-8-,18-17+;
InChIKeyBWBPUDZTBJLABS-AHWSBBFHSA-N
MW288.48 g/mol
LogP4.79
Rot. Bonds3

About (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane

(6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane (PubChem CID 170589248) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane.

Molecular Properties

Compound Name(6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane
PubChem CID170589248
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name(6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane
SMILESCC.CC/C=C1/C=C(CN2CCCCC2)C=C(C)/C1=N\C
InChIInChI=1S/C17H26N2.C2H6/c1-4-8-16-12-15(11-14(2)17(16)18-3)13-19-9-6-5-7-10-19;1-2/h8,11-12H,4-7,9-10,13H2,1-3H3;1-2H3/b16-8-,18-17+;
InChIKeyBWBPUDZTBJLABS-AHWSBBFHSA-N
XLogP4.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane?
The IUPAC name of (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane (CID 170589248) is (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane.
What is the SMILES notation for (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane?
The canonical SMILES for (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane is CC.CC/C=C1/C=C(CN2CCCCC2)C=C(C)/C1=N\C.
What is the InChIKey of (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane?
The InChIKey is BWBPUDZTBJLABS-AHWSBBFHSA-N. The full InChI is InChI=1S/C17H26N2.C2H6/c1-4-8-16-12-15(11-14(2)17(16)18-3)13-19-9-6-5-7-10-19;1-2/h8,11-12H,4-7,9-10,13H2,1-3H3;1-2H3/b16-8-,18-17+;.
What are the key properties of (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane?
(6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane has a molecular weight of 288.48 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N,2-dimethyl-4-(piperidin-1-ylmethyl)-6-propylidenecyclohexa-2,4-dien-1-imine;ethane is sourced from PubChem (CID 170589248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).