4-[butyl(methyl)amino]oxolan-3-ol

C9H19NO2 — CID 139506910

IUPAC4-[butyl(methyl)amino]oxolan-3-ol
SMILESCCCCN(C)C1COCC1O
InChIInChI=1S/C9H19NO2/c1-3-4-5-10(2)8-6-12-7-9(8)11/h8-9,11H,3-7H2,1-2H3
InChIKeyQXDVIIBPEWYIIV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds4

About 4-[butyl(methyl)amino]oxolan-3-ol

4-[butyl(methyl)amino]oxolan-3-ol (PubChem CID 139506910) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[butyl(methyl)amino]oxolan-3-ol
PubChem CID139506910
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-[butyl(methyl)amino]oxolan-3-ol
SMILESCCCCN(C)C1COCC1O
InChIInChI=1S/C9H19NO2/c1-3-4-5-10(2)8-6-12-7-9(8)11/h8-9,11H,3-7H2,1-2H3
InChIKeyQXDVIIBPEWYIIV-UHFFFAOYSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]oxolan-3-ol?
The IUPAC name of 4-[butyl(methyl)amino]oxolan-3-ol (CID 139506910) is 4-[butyl(methyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[butyl(methyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[butyl(methyl)amino]oxolan-3-ol is CCCCN(C)C1COCC1O.
What is the InChIKey of 4-[butyl(methyl)amino]oxolan-3-ol?
The InChIKey is QXDVIIBPEWYIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-10(2)8-6-12-7-9(8)11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-[butyl(methyl)amino]oxolan-3-ol?
4-[butyl(methyl)amino]oxolan-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]oxolan-3-ol is sourced from PubChem (CID 139506910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).