3-(methylamino)-3-(oxan-4-yl)propan-1-ol

C9H19NO2 — CID 65235282

IUPAC3-(methylamino)-3-(oxan-4-yl)propan-1-ol
SMILESCNC(CCO)C1CCOCC1
InChIInChI=1S/C9H19NO2/c1-10-9(2-5-11)8-3-6-12-7-4-8/h8-11H,2-7H2,1H3
InChIKeyLMXZBIMKOOAJDX-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.38
Rot. Bonds4

About 3-(methylamino)-3-(oxan-4-yl)propan-1-ol

3-(methylamino)-3-(oxan-4-yl)propan-1-ol (PubChem CID 65235282) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(methylamino)-3-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-3-(oxan-4-yl)propan-1-ol
PubChem CID65235282
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(methylamino)-3-(oxan-4-yl)propan-1-ol
SMILESCNC(CCO)C1CCOCC1
InChIInChI=1S/C9H19NO2/c1-10-9(2-5-11)8-3-6-12-7-4-8/h8-11H,2-7H2,1H3
InChIKeyLMXZBIMKOOAJDX-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-(oxan-4-yl)propan-1-ol?
The IUPAC name of 3-(methylamino)-3-(oxan-4-yl)propan-1-ol (CID 65235282) is 3-(methylamino)-3-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(methylamino)-3-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 3-(methylamino)-3-(oxan-4-yl)propan-1-ol is CNC(CCO)C1CCOCC1.
What is the InChIKey of 3-(methylamino)-3-(oxan-4-yl)propan-1-ol?
The InChIKey is LMXZBIMKOOAJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-10-9(2-5-11)8-3-6-12-7-4-8/h8-11H,2-7H2,1H3.
What are the key properties of 3-(methylamino)-3-(oxan-4-yl)propan-1-ol?
3-(methylamino)-3-(oxan-4-yl)propan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 65235282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).