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

C13H27NO2 — CID 79848357

IUPAC6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC(O)CN(C)CC1CCCC(C)(C)C1O
InChIInChI=1S/C13H27NO2/c1-10(15)8-14(4)9-11-6-5-7-13(2,3)12(11)16/h10-12,15-16H,5-9H2,1-4H3
InChIKeyWSVKIIRCHGBWKR-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.49
Rot. Bonds4

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

6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79848357) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79848357
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC(O)CN(C)CC1CCCC(C)(C)C1O
InChIInChI=1S/C13H27NO2/c1-10(15)8-14(4)9-11-6-5-7-13(2,3)12(11)16/h10-12,15-16H,5-9H2,1-4H3
InChIKeyWSVKIIRCHGBWKR-UHFFFAOYSA-N
XLogP1.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (CID 79848357) is 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is CC(O)CN(C)CC1CCCC(C)(C)C1O.
What is the InChIKey of 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is WSVKIIRCHGBWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(15)8-14(4)9-11-6-5-7-13(2,3)12(11)16/h10-12,15-16H,5-9H2,1-4H3.
What are the key properties of 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79848357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).