5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one

C8H16N2O2 — CID 117002200

IUPAC5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)N1CC(CN)COC1=O
InChIInChI=1S/C8H16N2O2/c1-6(2)10-4-7(3-9)5-12-8(10)11/h6-7H,3-5,9H2,1-2H3
InChIKeyDPUKMBFCHYYEHA-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.42
Rot. Bonds2

About 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one

5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 117002200) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
PubChem CID117002200
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)N1CC(CN)COC1=O
InChIInChI=1S/C8H16N2O2/c1-6(2)10-4-7(3-9)5-12-8(10)11/h6-7H,3-5,9H2,1-2H3
InChIKeyDPUKMBFCHYYEHA-UHFFFAOYSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
CID 117011202
5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117002371
5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
CID 156532561
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
2-oxo-3-propan-2-yl-1,3-oxazinane-5-carboxylic acid
CID 83847070
5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
CID 117002268
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 117002233
(5R)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 142143749
(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 15320772
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 96680803
5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 45096024

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one (CID 117002200) is 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one is CC(C)N1CC(CN)COC1=O.
What is the InChIKey of 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is DPUKMBFCHYYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)10-4-7(3-9)5-12-8(10)11/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one?
5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 117002200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).