4-[(2-methyloxolan-3-yl)amino]butan-2-ol

C9H19NO2 — CID 75525204

IUPAC4-[(2-methyloxolan-3-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CCOC1C
InChIInChI=1S/C9H19NO2/c1-7(11)3-5-10-9-4-6-12-8(9)2/h7-11H,3-6H2,1-2H3
InChIKeyXGSHVWLMUBFNBR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.52
Rot. Bonds4

About 4-[(2-methyloxolan-3-yl)amino]butan-2-ol

4-[(2-methyloxolan-3-yl)amino]butan-2-ol (PubChem CID 75525204) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[(2-methyloxolan-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(2-methyloxolan-3-yl)amino]butan-2-ol
PubChem CID75525204
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-[(2-methyloxolan-3-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CCOC1C
InChIInChI=1S/C9H19NO2/c1-7(11)3-5-10-9-4-6-12-8(9)2/h7-11H,3-6H2,1-2H3
InChIKeyXGSHVWLMUBFNBR-UHFFFAOYSA-N
XLogP0.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methyloxolan-3-yl)amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-3-yl)amino]butan-2-ol?
The IUPAC name of 4-[(2-methyloxolan-3-yl)amino]butan-2-ol (CID 75525204) is 4-[(2-methyloxolan-3-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(2-methyloxolan-3-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(2-methyloxolan-3-yl)amino]butan-2-ol is CC(O)CCNC1CCOC1C.
What is the InChIKey of 4-[(2-methyloxolan-3-yl)amino]butan-2-ol?
The InChIKey is XGSHVWLMUBFNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(11)3-5-10-9-4-6-12-8(9)2/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-[(2-methyloxolan-3-yl)amino]butan-2-ol?
4-[(2-methyloxolan-3-yl)amino]butan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyloxolan-3-yl)amino]butan-2-ol is sourced from PubChem (CID 75525204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).