2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol

C13H25NO3 — CID 102637107

IUPAC2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
SMILESCN(CC1(CO)CCOC1)C1CCCCC1O
InChIInChI=1S/C13H25NO3/c1-14(11-4-2-3-5-12(11)16)8-13(9-15)6-7-17-10-13/h11-12,15-16H,2-10H2,1H3
InChIKeyJRSQKNPHRWIYDA-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.62
Rot. Bonds4

About 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol

2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol (PubChem CID 102637107) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
PubChem CID102637107
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
SMILESCN(CC1(CO)CCOC1)C1CCCCC1O
InChIInChI=1S/C13H25NO3/c1-14(11-4-2-3-5-12(11)16)8-13(9-15)6-7-17-10-13/h11-12,15-16H,2-10H2,1H3
InChIKeyJRSQKNPHRWIYDA-UHFFFAOYSA-N
XLogP0.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
CID 102637085
[3-[(dimethylamino)methyl]oxolan-3-yl]methanol
CID 62270559
4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
CID 102636939
2-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]cyclohexan-1-ol
CID 102637079
1-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclohexan-1-ol
CID 102635783
2-[cyclohexyl-[[3-(hydroxymethyl)oxolan-3-yl]methyl]amino]ethanol
CID 62265114
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612
[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol
CID 107401725
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
CID 63745746
[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol (CID 102637107) is 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol is CN(CC1(CO)CCOC1)C1CCCCC1O.
What is the InChIKey of 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol?
The InChIKey is JRSQKNPHRWIYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-14(11-4-2-3-5-12(11)16)8-13(9-15)6-7-17-10-13/h11-12,15-16H,2-10H2,1H3.
What are the key properties of 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol?
2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102637107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).