3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol

C11H21NO3 — CID 106100705

IUPAC3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
SMILESO[C@@H]1CCCC[C@H]1NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c13-10-4-2-1-3-9(10)12-7-11(14)5-6-15-8-11/h9-10,12-14H,1-8H2/t9-,10-,11?/m1/s1
InChIKeyACYYREWTRBGQCU-DIOIDXFWSA-N
MW215.29 g/mol
LogP0.03
Rot. Bonds3

About 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol

3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol (PubChem CID 106100705) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
PubChem CID106100705
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
SMILESO[C@@H]1CCCC[C@H]1NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c13-10-4-2-1-3-9(10)12-7-11(14)5-6-15-8-11/h9-10,12-14H,1-8H2/t9-,10-,11?/m1/s1
InChIKeyACYYREWTRBGQCU-DIOIDXFWSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

3-[[(2-cyclohexylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904857
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
3-[[(2-phenylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904822
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]cycloheptan-1-ol
CID 65120602
trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
CID 102731427
4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65118682
trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
CID 102731430
3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol
CID 104532084
4-[[(2-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130333
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283
3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103848335
trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
CID 102731253

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol (CID 106100705) is 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol is O[C@@H]1CCCC[C@H]1NCC1(O)CCOC1.
What is the InChIKey of 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol?
The InChIKey is ACYYREWTRBGQCU-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H21NO3/c13-10-4-2-1-3-9(10)12-7-11(14)5-6-15-8-11/h9-10,12-14H,1-8H2/t9-,10-,11?/m1/s1.
What are the key properties of 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol?
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol has a molecular weight of 215.29 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).