3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol

C10H21NO3 — CID 106099894

IUPAC3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)C(C)(C)O
InChIInChI=1S/C10H21NO3/c1-8(9(2,3)12)11-6-10(13)4-5-14-7-10/h8,11-13H,4-7H2,1-3H3
InChIKeyIEKKEADZVIVUIJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.11
Rot. Bonds4

About 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol

3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol (PubChem CID 106099894) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol
PubChem CID106099894
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)C(C)(C)O
InChIInChI=1S/C10H21NO3/c1-8(9(2,3)12)11-6-10(13)4-5-14-7-10/h8,11-13H,4-7H2,1-3H3
InChIKeyIEKKEADZVIVUIJ-UHFFFAOYSA-N
XLogP-0.11
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol (CID 106099894) is 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)C(C)(C)O.
What is the InChIKey of 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol?
The InChIKey is IEKKEADZVIVUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(9(2,3)12)11-6-10(13)4-5-14-7-10/h8,11-13H,4-7H2,1-3H3.
What are the key properties of 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol?
3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol has a molecular weight of 203.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).