4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol

C11H21NO3 — CID 106133383

IUPAC4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol
SMILESOC1CCC(CNC2COCC2O)CC1
InChIInChI=1S/C11H21NO3/c13-9-3-1-8(2-4-9)5-12-10-6-15-7-11(10)14/h8-14H,1-7H2
InChIKeyWLPAJLPRXAAAEL-UHFFFAOYSA-N
MW215.29 g/mol
LogP-0.11
Rot. Bonds3

About 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol

4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol (PubChem CID 106133383) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol
PubChem CID106133383
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol
SMILESOC1CCC(CNC2COCC2O)CC1
InChIInChI=1S/C11H21NO3/c13-9-3-1-8(2-4-9)5-12-10-6-15-7-11(10)14/h8-14H,1-7H2
InChIKeyWLPAJLPRXAAAEL-UHFFFAOYSA-N
XLogP-0.11
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(5-methylhexan-2-ylamino)methyl]oxolane-3,4-diol
CID 44585233
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[(6-methylheptan-2-ylamino)methyl]oxolane-3,4-diol
CID 44585234
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]methyl]oxolane-3,4-diol
CID 44585238
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]methyl]oxolane-3,4-diol
CID 44585239
rac-(3R,4R)-1-oxa-7-azaspiro[4.5]decane-3,4-diol hydrochloride
CID 165951061
4-Methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 75504707
(3R,5S)-5-[(4-methylcyclohexyl)oxymethyl]pyrrolidin-3-ol
CID 57868111
(3S,5S)-5-[(4-methylcyclohexyl)oxymethyl]pyrrolidin-3-ol
CID 66595017
4-[[(1S)-1-cyclohexylethyl]amino]oxolan-3-ol
CID 81384767
(2S,3S)-4-methyl-2-(propylaminomethyl)oxolan-3-ol
CID 89900259
4-[[(3-Ethoxy-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 106133196
(2S,3S)-2-(butylaminomethyl)-4-methyloxolan-3-ol
CID 117672351

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol?
The IUPAC name of 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol (CID 106133383) is 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol is OC1CCC(CNC2COCC2O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol?
The InChIKey is WLPAJLPRXAAAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c13-9-3-1-8(2-4-9)5-12-10-6-15-7-11(10)14/h8-14H,1-7H2.
What are the key properties of 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol?
4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol has a molecular weight of 215.29 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol is sourced from PubChem (CID 106133383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).