6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol

C21H34N2O — CID 70841846

IUPAC6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
SMILESCNC1C=C(C)C(CC2CC=C(O)C(C3CCCCC3)N2)=C(C)C1
InChIInChI=1S/C21H34N2O/c1-14-11-18(22-3)12-15(2)19(14)13-17-9-10-20(24)21(23-17)16-7-5-4-6-8-16/h10-11,16-18,21-24H,4-9,12-13H2,1-3H3
InChIKeyUACWMMAVTXMKEE-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.38
Rot. Bonds4

About 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol

6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol (PubChem CID 70841846) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol.

Molecular Properties

Compound Name6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
PubChem CID70841846
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
SMILESCNC1C=C(C)C(CC2CC=C(O)C(C3CCCCC3)N2)=C(C)C1
InChIInChI=1S/C21H34N2O/c1-14-11-18(22-3)12-15(2)19(14)13-17-9-10-20(24)21(23-17)16-7-5-4-6-8-16/h10-11,16-18,21-24H,4-9,12-13H2,1-3H3
InChIKeyUACWMMAVTXMKEE-UHFFFAOYSA-N
XLogP4.38
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol 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 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol?
The IUPAC name of 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol (CID 70841846) is 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol.
What is the SMILES notation for 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol?
The canonical SMILES for 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol is CNC1C=C(C)C(CC2CC=C(O)C(C3CCCCC3)N2)=C(C)C1.
What is the InChIKey of 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol?
The InChIKey is UACWMMAVTXMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-14-11-18(22-3)12-15(2)19(14)13-17-9-10-20(24)21(23-17)16-7-5-4-6-8-16/h10-11,16-18,21-24H,4-9,12-13H2,1-3H3.
What are the key properties of 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol?
6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol has a molecular weight of 330.52 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-[[2,6-dimethyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol is sourced from PubChem (CID 70841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).