4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one

C11H22N2O2 — CID 117010915

IUPAC4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
SMILESCCCCCN1C(=O)OCCC1CCN
InChIInChI=1S/C11H22N2O2/c1-2-3-4-8-13-10(5-7-12)6-9-15-11(13)14/h10H,2-9,12H2,1H3
InChIKeyQVYDKQOTHVMMBA-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.74
Rot. Bonds6

About 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one

4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one (PubChem CID 117010915) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
PubChem CID117010915
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
SMILESCCCCCN1C(=O)OCCC1CCN
InChIInChI=1S/C11H22N2O2/c1-2-3-4-8-13-10(5-7-12)6-9-15-11(13)14/h10H,2-9,12H2,1H3
InChIKeyQVYDKQOTHVMMBA-UHFFFAOYSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.74
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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Related Compounds

4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
CID 117010887
3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
CID 117011235
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010945
4-(2-aminoethyl)-3-(3,4-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010922
3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
CID 58234740
3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
(6S,7E)-7-hexylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
CID 102448109

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one (CID 117010915) is 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one is CCCCCN1C(=O)OCCC1CCN.
What is the InChIKey of 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one?
The InChIKey is QVYDKQOTHVMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-8-13-10(5-7-12)6-9-15-11(13)14/h10H,2-9,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one?
4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one has a molecular weight of 214.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117010915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).