1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol

C12H25NO2 — CID 115773243

IUPAC1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol
SMILESCN(CC1(O)CCCCC1)C(C)(C)CO
InChIInChI=1S/C12H25NO2/c1-11(2,10-14)13(3)9-12(15)7-5-4-6-8-12/h14-15H,4-10H2,1-3H3
InChIKeyIMWQKNNBVSDSQW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.38
Rot. Bonds4

About 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol

1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol (PubChem CID 115773243) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol
PubChem CID115773243
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol
SMILESCN(CC1(O)CCCCC1)C(C)(C)CO
InChIInChI=1S/C12H25NO2/c1-11(2,10-14)13(3)9-12(15)7-5-4-6-8-12/h14-15H,4-10H2,1-3H3
InChIKeyIMWQKNNBVSDSQW-UHFFFAOYSA-N
XLogP1.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 65212839
1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde
CID 114953362
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
1-[(tert-butylamino)methyl]cyclooctan-1-ol
CID 62774336
1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63960268
4-hydroxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498735
3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide
CID 114948691
1-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]cyclopentan-1-ol
CID 65210742
1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol
CID 103839075
1-(3,3-dimethylbutyl)cycloheptan-1-ol
CID 65147849
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760027

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol (CID 115773243) is 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol is CN(CC1(O)CCCCC1)C(C)(C)CO.
What is the InChIKey of 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IMWQKNNBVSDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,10-14)13(3)9-12(15)7-5-4-6-8-12/h14-15H,4-10H2,1-3H3.
What are the key properties of 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol?
1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115773243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).