trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol

C11H23NO2 — CID 104954571

IUPACtrans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol
SMILESCN(CC(C)(C)O)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NO2/c1-11(2,14)8-12(3)9-6-4-5-7-10(9)13/h9-10,13-14H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyGMYKMIXMKODEIC-NXEZZACHSA-N
MW201.31 g/mol
LogP0.99
Rot. Bonds3

About trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol (PubChem CID 104954571) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol
PubChem CID104954571
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametrans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol
SMILESCN(CC(C)(C)O)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NO2/c1-11(2,14)8-12(3)9-6-4-5-7-10(9)13/h9-10,13-14H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyGMYKMIXMKODEIC-NXEZZACHSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-2-methylpropyl)-methylamino]cyclohexan-1-ol;hydrochloride
CID 130878660
2-[(2-hydroxy-2-methylpropyl)-methylamino]cycloheptane-1-carbonitrile
CID 79382333
(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol
CID 130857921
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]cyclohexan-1-ol
CID 102637047
trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 59492154
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
CID 102732161
2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 115773222
trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 104954609
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol (CID 104954571) is trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol is CN(CC(C)(C)O)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol?
The InChIKey is GMYKMIXMKODEIC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,14)8-12(3)9-6-4-5-7-10(9)13/h9-10,13-14H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 104954571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).