4-[methyl(propan-2-yl)amino]oxolan-3-ol

C8H17NO2 — CID 130174304

IUPAC4-[methyl(propan-2-yl)amino]oxolan-3-ol
SMILESCC(C)N(C)C1COCC1O
InChIInChI=1S/C8H17NO2/c1-6(2)9(3)7-4-11-5-8(7)10/h6-8,10H,4-5H2,1-3H3
InChIKeySXHQNLTYFZLOLJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.09
Rot. Bonds2

About 4-[methyl(propan-2-yl)amino]oxolan-3-ol

4-[methyl(propan-2-yl)amino]oxolan-3-ol (PubChem CID 130174304) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]oxolan-3-ol
PubChem CID130174304
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-[methyl(propan-2-yl)amino]oxolan-3-ol
SMILESCC(C)N(C)C1COCC1O
InChIInChI=1S/C8H17NO2/c1-6(2)9(3)7-4-11-5-8(7)10/h6-8,10H,4-5H2,1-3H3
InChIKeySXHQNLTYFZLOLJ-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]oxolan-3-ol?
The IUPAC name of 4-[methyl(propan-2-yl)amino]oxolan-3-ol (CID 130174304) is 4-[methyl(propan-2-yl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]oxolan-3-ol?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]oxolan-3-ol is CC(C)N(C)C1COCC1O.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]oxolan-3-ol?
The InChIKey is SXHQNLTYFZLOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)9(3)7-4-11-5-8(7)10/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 4-[methyl(propan-2-yl)amino]oxolan-3-ol?
4-[methyl(propan-2-yl)amino]oxolan-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]oxolan-3-ol is sourced from PubChem (CID 130174304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).