3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine

C20H30N2 — CID 139420053

IUPAC3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine
SMILESC/N=C1\CC=C(N2CCCCC2)C=C(C=C2CCCCC2)C1
InChIInChI=1S/C20H30N2/c1-21-19-10-11-20(22-12-6-3-7-13-22)16-18(15-19)14-17-8-4-2-5-9-17/h11,14,16H,2-10,12-13,15H2,1H3/b21-19+
InChIKeyJLRCHJADWGEBGU-XUTLUUPISA-N
MW298.47 g/mol
LogP5.04
Rot. Bonds2

About 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine

3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine (PubChem CID 139420053) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine.

Molecular Properties

Compound Name3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine
PubChem CID139420053
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine
SMILESC/N=C1\CC=C(N2CCCCC2)C=C(C=C2CCCCC2)C1
InChIInChI=1S/C20H30N2/c1-21-19-10-11-20(22-12-6-3-7-13-22)16-18(15-19)14-17-8-4-2-5-9-17/h11,14,16H,2-10,12-13,15H2,1H3/b21-19+
InChIKeyJLRCHJADWGEBGU-XUTLUUPISA-N
XLogP5.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.04
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 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine?
The IUPAC name of 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine (CID 139420053) is 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine.
What is the SMILES notation for 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine?
The canonical SMILES for 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine is C/N=C1\CC=C(N2CCCCC2)C=C(C=C2CCCCC2)C1.
What is the InChIKey of 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine?
The InChIKey is JLRCHJADWGEBGU-XUTLUUPISA-N. The full InChI is InChI=1S/C20H30N2/c1-21-19-10-11-20(22-12-6-3-7-13-22)16-18(15-19)14-17-8-4-2-5-9-17/h11,14,16H,2-10,12-13,15H2,1H3/b21-19+.
What are the key properties of 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine?
3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine has a molecular weight of 298.47 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethyl)-N-methyl-5-piperidin-1-ylcyclohepta-3,5-dien-1-imine is sourced from PubChem (CID 139420053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).