6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol

C17H27NO — CID 79849284

IUPAC6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCN(Cc1ccccc1)CC1CCCC(C)(C)C1O
InChIInChI=1S/C17H27NO/c1-17(2)11-7-10-15(16(17)19)13-18(3)12-14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,7,10-13H2,1-3H3
InChIKeySDNMYSGKOIGGTK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.31
Rot. Bonds4

About 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol

6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79849284) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79849284
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCN(Cc1ccccc1)CC1CCCC(C)(C)C1O
InChIInChI=1S/C17H27NO/c1-17(2)11-7-10-15(16(17)19)13-18(3)12-14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,7,10-13H2,1-3H3
InChIKeySDNMYSGKOIGGTK-UHFFFAOYSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (CID 79849284) is 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is CN(Cc1ccccc1)CC1CCCC(C)(C)C1O.
What is the InChIKey of 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is SDNMYSGKOIGGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2)11-7-10-15(16(17)19)13-18(3)12-14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,7,10-13H2,1-3H3.
What are the key properties of 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79849284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).