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

C11H21NO2 — CID 60898950

IUPAC4-[(4-methylcyclohexyl)amino]oxolan-3-ol
SMILESCC1CCC(NC2COCC2O)CC1
InChIInChI=1S/C11H21NO2/c1-8-2-4-9(5-3-8)12-10-6-14-7-11(10)13/h8-13H,2-7H2,1H3
InChIKeyONYNXNDKLKDKSI-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.91
Rot. Bonds2

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

4-[(4-methylcyclohexyl)amino]oxolan-3-ol (PubChem CID 60898950) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]oxolan-3-ol
PubChem CID60898950
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(4-methylcyclohexyl)amino]oxolan-3-ol
SMILESCC1CCC(NC2COCC2O)CC1
InChIInChI=1S/C11H21NO2/c1-8-2-4-9(5-3-8)12-10-6-14-7-11(10)13/h8-13H,2-7H2,1H3
InChIKeyONYNXNDKLKDKSI-UHFFFAOYSA-N
XLogP0.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
CID 107270594
3-[[[4-(Trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
CID 113460017
(3S)-4-{[(1R,2R)-2-fluorocyclohexyl]amino}oxolan-3-ol
CID 168021343
[3-(Butylamino)-4,5-dimethyloxolan-2-yl]methanol
CID 59097618
1-[[4-(Aminomethyl)cyclohexyl]-methylamino]-3-methoxypropan-2-ol
CID 68048341
4-[[4-(Aminomethyl)cyclohexyl]-(2-hydroxy-3-methoxypropyl)amino]butane-1,3-diol
CID 68048423
4-[[(1S)-1-cyclohexylethyl]amino]oxolan-3-ol
CID 81384767
2-Ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol
CID 91173745
1-Butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 107262490
(3S,4R)-4-[(3-propan-2-ylcyclobutyl)amino]oxolan-3-ol
CID 131140533
(2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol
CID 135225035
(3R,4S)-4-(octylamino)oxolan-3-ol
CID 156254780

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]oxolan-3-ol (CID 60898950) is 4-[(4-methylcyclohexyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]oxolan-3-ol is CC1CCC(NC2COCC2O)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]oxolan-3-ol?
The InChIKey is ONYNXNDKLKDKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-2-4-9(5-3-8)12-10-6-14-7-11(10)13/h8-13H,2-7H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)amino]oxolan-3-ol?
4-[(4-methylcyclohexyl)amino]oxolan-3-ol has a molecular weight of 199.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]oxolan-3-ol is sourced from PubChem (CID 60898950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).