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

C11H21NO2 — CID 60900459

IUPAC4-[(3-methylcyclohexyl)amino]oxolan-3-ol
SMILESCC1CCCC(NC2COCC2O)C1
InChIInChI=1S/C11H21NO2/c1-8-3-2-4-9(5-8)12-10-6-14-7-11(10)13/h8-13H,2-7H2,1H3
InChIKeyHTQRIUIKAMCRNR-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.91
Rot. Bonds2

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

4-[(3-methylcyclohexyl)amino]oxolan-3-ol (PubChem CID 60900459) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(3-methylcyclohexyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(3-methylcyclohexyl)amino]oxolan-3-ol
PubChem CID60900459
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(3-methylcyclohexyl)amino]oxolan-3-ol
SMILESCC1CCCC(NC2COCC2O)C1
InChIInChI=1S/C11H21NO2/c1-8-3-2-4-9(5-8)12-10-6-14-7-11(10)13/h8-13H,2-7H2,1H3
InChIKeyHTQRIUIKAMCRNR-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

cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol
CID 115923407
(3S,4R)-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]oxolan-3-ol
CID 122236870
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol
CID 130751540
trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733566
2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 64733650
2-cyclohexyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
CID 43432566
4-(azetidin-3-ylamino)oxolan-3-ol
CID 126856880
(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
CID 126846702
N,3-dimethylcyclohexan-1-amine
CID 16771259

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclohexyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(3-methylcyclohexyl)amino]oxolan-3-ol (CID 60900459) is 4-[(3-methylcyclohexyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(3-methylcyclohexyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(3-methylcyclohexyl)amino]oxolan-3-ol is CC1CCCC(NC2COCC2O)C1.
What is the InChIKey of 4-[(3-methylcyclohexyl)amino]oxolan-3-ol?
The InChIKey is HTQRIUIKAMCRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-3-2-4-9(5-8)12-10-6-14-7-11(10)13/h8-13H,2-7H2,1H3.
What are the key properties of 4-[(3-methylcyclohexyl)amino]oxolan-3-ol?
4-[(3-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-[(3-methylcyclohexyl)amino]oxolan-3-ol is sourced from PubChem (CID 60900459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).