3-(3-aminopropyl)-1,3-oxazinan-2-one

C7H14N2O2 — CID 62269865

IUPAC3-(3-aminopropyl)-1,3-oxazinan-2-one
SMILESNCCCN1CCCOC1=O
InChIInChI=1S/C7H14N2O2/c8-3-1-4-9-5-2-6-11-7(9)10/h1-6,8H2
InChIKeyQOTMKACVTTYFLE-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.18
Rot. Bonds3

About 3-(3-aminopropyl)-1,3-oxazinan-2-one

3-(3-aminopropyl)-1,3-oxazinan-2-one (PubChem CID 62269865) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-1,3-oxazinan-2-one
PubChem CID62269865
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(3-aminopropyl)-1,3-oxazinan-2-one
SMILESNCCCN1CCCOC1=O
InChIInChI=1S/C7H14N2O2/c8-3-1-4-9-5-2-6-11-7(9)10/h1-6,8H2
InChIKeyQOTMKACVTTYFLE-UHFFFAOYSA-N
XLogP0.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-1,3-oxazinan-2-one hydrochloride
CID 53398872
3-(2-Aminoethyl)-1,3-oxazinan-2-one
CID 28064014
3-(3-Amino-2,2-difluoropropyl)-1,3-oxazinan-2-one
CID 114384584
3-(4-Ethoxycarbonylpiperazinyl)propanamine
CID 20252224
(5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one
CID 58093298
(5R)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one
CID 66594957
(5S)-5-(aminomethyl)-1,3-oxazinan-2-one
CID 66596503
(5R)-5-(aminomethyl)-1,3-oxazinan-2-one
CID 66596504
(5R)-5-(aminomethyl)-3-ethyl-1,3-oxazinan-2-one
CID 68150942
5-(Aminomethyl)-1,3-oxazinan-2-one
CID 77151109
3-Aminopropyl piperidine-1-carboxylate
CID 79337729
(5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one
CID 89021417

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-aminopropyl)-1,3-oxazinan-2-one (CID 62269865) is 3-(3-aminopropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-aminopropyl)-1,3-oxazinan-2-one is NCCCN1CCCOC1=O.
What is the InChIKey of 3-(3-aminopropyl)-1,3-oxazinan-2-one?
The InChIKey is QOTMKACVTTYFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-3-1-4-9-5-2-6-11-7(9)10/h1-6,8H2.
What are the key properties of 3-(3-aminopropyl)-1,3-oxazinan-2-one?
3-(3-aminopropyl)-1,3-oxazinan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 62269865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).