4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one

C9H18N2O2 — CID 117010803

IUPAC4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one
SMILESCCC(C)N1C(=O)OCCC1CN
InChIInChI=1S/C9H18N2O2/c1-3-7(2)11-8(6-10)4-5-13-9(11)12/h7-8H,3-6,10H2,1-2H3
InChIKeyZBNXNRQEMREBSN-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.95
Rot. Bonds3

About 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one

4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one (PubChem CID 117010803) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one
PubChem CID117010803
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one
SMILESCCC(C)N1C(=O)OCCC1CN
InChIInChI=1S/C9H18N2O2/c1-3-7(2)11-8(6-10)4-5-13-9(11)12/h7-8H,3-6,10H2,1-2H3
InChIKeyZBNXNRQEMREBSN-UHFFFAOYSA-N
XLogP0.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
CID 117010887
3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 138608058
4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
CID 117010915
4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010856
5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117002371
3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one
CID 63762139
2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
CID 117011235
4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
CID 117011328
4-(2-aminoethyl)-3-(3,4-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010922
3-[(2R)-2-aminopropyl]-1,3-oxazolidin-2-one
CID 28794902
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 117011448

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one (CID 117010803) is 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one is CCC(C)N1C(=O)OCCC1CN.
What is the InChIKey of 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one?
The InChIKey is ZBNXNRQEMREBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-7(2)11-8(6-10)4-5-13-9(11)12/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one?
4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 117010803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).