3-[methyl(2H-oxet-3-yl)amino]propan-1-ol

C7H13NO2 — CID 150094283

IUPAC3-[methyl(2H-oxet-3-yl)amino]propan-1-ol
SMILESCN(CCCO)C1=COC1
InChIInChI=1S/C7H13NO2/c1-8(3-2-4-9)7-5-10-6-7/h5,9H,2-4,6H2,1H3
InChIKeyDTWPOBZSLQWEKJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.17
Rot. Bonds4

About 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol

3-[methyl(2H-oxet-3-yl)amino]propan-1-ol (PubChem CID 150094283) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl(2H-oxet-3-yl)amino]propan-1-ol
PubChem CID150094283
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-[methyl(2H-oxet-3-yl)amino]propan-1-ol
SMILESCN(CCCO)C1=COC1
InChIInChI=1S/C7H13NO2/c1-8(3-2-4-9)7-5-10-6-7/h5,9H,2-4,6H2,1H3
InChIKeyDTWPOBZSLQWEKJ-UHFFFAOYSA-N
XLogP0.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol (CID 150094283) is 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol is CN(CCCO)C1=COC1.
What is the InChIKey of 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol?
The InChIKey is DTWPOBZSLQWEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8(3-2-4-9)7-5-10-6-7/h5,9H,2-4,6H2,1H3.
What are the key properties of 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol?
3-[methyl(2H-oxet-3-yl)amino]propan-1-ol has a molecular weight of 143.19 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2H-oxet-3-yl)amino]propan-1-ol is sourced from PubChem (CID 150094283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).