6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one

C10H20N2O2 — CID 117010734

IUPAC6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one
SMILESCCCCCN1CCC(CN)OC1=O
InChIInChI=1S/C10H20N2O2/c1-2-3-4-6-12-7-5-9(8-11)14-10(12)13/h9H,2-8,11H2,1H3
InChIKeyYDQYWSMRKPPTDF-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.35
Rot. Bonds5

About 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one

6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one (PubChem CID 117010734) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one
PubChem CID117010734
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one
SMILESCCCCCN1CCC(CN)OC1=O
InChIInChI=1S/C10H20N2O2/c1-2-3-4-6-12-7-5-9(8-11)14-10(12)13/h9H,2-8,11H2,1H3
InChIKeyYDQYWSMRKPPTDF-UHFFFAOYSA-N
XLogP1.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.35
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

5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one
CID 101260868
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
5-(chloromethyl)-3-dodecyl-1,3-oxazolidin-2-one;1-dodecylpyrrolidin-2-one
CID 159459303
5-(aminomethyl)-3-(2-methylpentyl)-1,3-oxazolidin-2-one
CID 112594234
4-methyl-1-octylpiperidin-2-one
CID 139271548
1,3-dioctylimidazolidin-2-one
CID 19987667
(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115056598
3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one
CID 86160491

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one?
The IUPAC name of 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one (CID 117010734) is 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one is CCCCCN1CCC(CN)OC1=O.
What is the InChIKey of 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one?
The InChIKey is YDQYWSMRKPPTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-6-12-7-5-9(8-11)14-10(12)13/h9H,2-8,11H2,1H3.
What are the key properties of 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one?
6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one has a molecular weight of 200.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117010734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).