2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol

C12H25NO2 — CID 106939133

IUPAC2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol
SMILESCNC1CCCCC1OCCC(C)(C)O
InChIInChI=1S/C12H25NO2/c1-12(2,14)8-9-15-11-7-5-4-6-10(11)13-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyVAAVIBCRCFBFRD-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.69
Rot. Bonds5

About 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol

2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol (PubChem CID 106939133) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol
PubChem CID106939133
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol
SMILESCNC1CCCCC1OCCC(C)(C)O
InChIInChI=1S/C12H25NO2/c1-12(2,14)8-9-15-11-7-5-4-6-10(11)13-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyVAAVIBCRCFBFRD-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-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

N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine
CID 112587404
4-[2-(methylamino)cyclohexyl]oxybutan-1-ol
CID 106939139
N-methyl-2-(4,4,4-trifluorobutoxy)cycloheptan-1-amine
CID 82788736
1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol
CID 106941019
N-cyclopropyl-3-[2-(methylamino)cyclohexyl]oxypropanamide
CID 102633353
1-butoxy-3-[2-(methylamino)cyclohexyl]oxypropan-2-ol
CID 107263496
N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
CID 106727010
2-methyl-4-[methyl-[(1S,2S)-2-(methylamino)cyclohexyl]amino]butan-2-ol
CID 134429508
2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine
CID 82004539
2-[2-(methylamino)cyclohexyl]oxy-N-propylacetamide
CID 102633360
N-ethyl-2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954260
2-[2-(methylamino)cyclohexyl]oxy-N-prop-2-enylacetamide
CID 102633375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol?
The IUPAC name of 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol (CID 106939133) is 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol?
The canonical SMILES for 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol is CNC1CCCCC1OCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol?
The InChIKey is VAAVIBCRCFBFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,14)8-9-15-11-7-5-4-6-10(11)13-3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol?
2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol is sourced from PubChem (CID 106939133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).