6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol

C16H33NO — CID 79849364

IUPAC6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC(N(C)CC1CCCC(C)(C)C1O)C(C)(C)C
InChIInChI=1S/C16H33NO/c1-12(15(2,3)4)17(7)11-13-9-8-10-16(5,6)14(13)18/h12-14,18H,8-11H2,1-7H3
InChIKeyMLCOCNRIUZZHRN-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.54
Rot. Bonds3

About 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol

6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79849364) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79849364
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC(N(C)CC1CCCC(C)(C)C1O)C(C)(C)C
InChIInChI=1S/C16H33NO/c1-12(15(2,3)4)17(7)11-13-9-8-10-16(5,6)14(13)18/h12-14,18H,8-11H2,1-7H3
InChIKeyMLCOCNRIUZZHRN-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848357
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 62608874
6-[bis(2-methylpropyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79834395
2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 79848513
N,2,2-trimethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853096
6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849284
2,2-dimethyl-5-[[methyl(2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 79855430
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856126
6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 107487240
4-[[(2-hydroxy-3,3-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114953741
6-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclohexan-1-ol
CID 140608938
6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848349

Frequently Asked Questions

What is the IUPAC name of 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (CID 79849364) is 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is CC(N(C)CC1CCCC(C)(C)C1O)C(C)(C)C.
What is the InChIKey of 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is MLCOCNRIUZZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(15(2,3)4)17(7)11-13-9-8-10-16(5,6)14(13)18/h12-14,18H,8-11H2,1-7H3.
What are the key properties of 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79849364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).