3-[3-(methylamino)propyl]-1,3-oxazinan-2-one

C8H16N2O2 — CID 61349236

IUPAC3-[3-(methylamino)propyl]-1,3-oxazinan-2-one
SMILESCNCCCN1CCCOC1=O
InChIInChI=1S/C8H16N2O2/c1-9-4-2-5-10-6-3-7-12-8(10)11/h9H,2-7H2,1H3
InChIKeyRAQVGOVHWUUNRT-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds4

About 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one

3-[3-(methylamino)propyl]-1,3-oxazinan-2-one (PubChem CID 61349236) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-(methylamino)propyl]-1,3-oxazinan-2-one
PubChem CID61349236
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[3-(methylamino)propyl]-1,3-oxazinan-2-one
SMILESCNCCCN1CCCOC1=O
InChIInChI=1S/C8H16N2O2/c1-9-4-2-5-10-6-3-7-12-8(10)11/h9H,2-7H2,1H3
InChIKeyRAQVGOVHWUUNRT-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one (CID 61349236) is 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one is CNCCCN1CCCOC1=O.
What is the InChIKey of 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one?
The InChIKey is RAQVGOVHWUUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-4-2-5-10-6-3-7-12-8(10)11/h9H,2-7H2,1H3.
What are the key properties of 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one?
3-[3-(methylamino)propyl]-1,3-oxazinan-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)propyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 61349236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).