2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol

C13H25NO2 — CID 107270894

IUPAC2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol
SMILESCC1CCCCC1NCC1(O)CCOC1C
InChIInChI=1S/C13H25NO2/c1-10-5-3-4-6-12(10)14-9-13(15)7-8-16-11(13)2/h10-12,14-15H,3-9H2,1-2H3
InChIKeyBDGUFLUZAJNLJH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.69
Rot. Bonds3

About 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol

2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol (PubChem CID 107270894) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol
PubChem CID107270894
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol
SMILESCC1CCCCC1NCC1(O)CCOC1C
InChIInChI=1S/C13H25NO2/c1-10-5-3-4-6-12(10)14-9-13(15)7-8-16-11(13)2/h10-12,14-15H,3-9H2,1-2H3
InChIKeyBDGUFLUZAJNLJH-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 107270657
3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
CID 114078738
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
CID 107268371
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217
trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine
CID 124732476
1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
CID 95377558
N-[(1-ethylcyclopropyl)methyl]-2-methylcyclohexan-1-amine
CID 115892730
N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106101003
3-[(dimethylsulfamoylamino)methyl]-3-hydroxy-2-methyloxolane
CID 107271476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol (CID 107270894) is 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol is CC1CCCCC1NCC1(O)CCOC1C.
What is the InChIKey of 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol?
The InChIKey is BDGUFLUZAJNLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-5-3-4-6-12(10)14-9-13(15)7-8-16-11(13)2/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).