4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol

C12H23NO3 — CID 62553193

IUPAC4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol
SMILESCC1CCCC(CO)(NC2COCC2O)C1
InChIInChI=1S/C12H23NO3/c1-9-3-2-4-12(5-9,8-14)13-10-6-16-7-11(10)15/h9-11,13-15H,2-8H2,1H3
InChIKeyQBNYDMAPRMMXPI-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.28
Rot. Bonds3

About 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol

4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol (PubChem CID 62553193) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol
PubChem CID62553193
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol
SMILESCC1CCCC(CO)(NC2COCC2O)C1
InChIInChI=1S/C12H23NO3/c1-9-3-2-4-12(5-9,8-14)13-10-6-16-7-11(10)15/h9-11,13-15H,2-8H2,1H3
InChIKeyQBNYDMAPRMMXPI-UHFFFAOYSA-N
XLogP0.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
CID 66257360
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-(propylamino)oxolane-3-carboxamide
CID 66255792
trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol
CID 94469672
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentan-1-ol
CID 102734161
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342
trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
CID 106298082
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol?
The IUPAC name of 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol (CID 62553193) is 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol.
What is the SMILES notation for 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol?
The canonical SMILES for 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol is CC1CCCC(CO)(NC2COCC2O)C1.
What is the InChIKey of 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol?
The InChIKey is QBNYDMAPRMMXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9-3-2-4-12(5-9,8-14)13-10-6-16-7-11(10)15/h9-11,13-15H,2-8H2,1H3.
What are the key properties of 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol?
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol has a molecular weight of 229.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol is sourced from PubChem (CID 62553193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).