3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride

C6H13ClN2O2 — CID 53398872

IUPAC3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.NCCN1CCCOC1=O
InChIInChI=1S/C6H12N2O2.ClH/c7-2-4-8-3-1-5-10-6(8)9;/h1-5,7H2;1H
InChIKeyHTYWXTQWTBFBLB-UHFFFAOYSA-N
MW180.63 g/mol
LogP0.21
Rot. Bonds2

About 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride

3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 53398872) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID53398872
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.NCCN1CCCOC1=O
InChIInChI=1S/C6H12N2O2.ClH/c7-2-4-8-3-1-5-10-6(8)9;/h1-5,7H2;1H
InChIKeyHTYWXTQWTBFBLB-UHFFFAOYSA-N
XLogP0.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride (CID 53398872) is 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride is Cl.NCCN1CCCOC1=O.
What is the InChIKey of 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is HTYWXTQWTBFBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c7-2-4-8-3-1-5-10-6(8)9;/h1-5,7H2;1H.
What are the key properties of 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride?
3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 53398872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).