8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one

C14H21N3O — CID 115096051

IUPAC8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)N1C(=O)C(C)(C)Nc2cccc(CN)c21
InChIInChI=1S/C14H21N3O/c1-9(2)17-12-10(8-15)6-5-7-11(12)16-14(3,4)13(17)18/h5-7,9,16H,8,15H2,1-4H3
InChIKeyMABMUQZGVLTQMO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.09
Rot. Bonds2

About 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one

8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (PubChem CID 115096051) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
PubChem CID115096051
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)N1C(=O)C(C)(C)Nc2cccc(CN)c21
InChIInChI=1S/C14H21N3O/c1-9(2)17-12-10(8-15)6-5-7-11(12)16-14(3,4)13(17)18/h5-7,9,16H,8,15H2,1-4H3
InChIKeyMABMUQZGVLTQMO-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096054
1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
CID 84627207
7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096214
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 82157685
5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115094901
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096601
3-[3-[2-(aminomethyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43253870
8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 115095930
8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 115096446
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
CID 115096627
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The IUPAC name of 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (CID 115096051) is 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.
What is the SMILES notation for 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The canonical SMILES for 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is CC(C)N1C(=O)C(C)(C)Nc2cccc(CN)c21.
What is the InChIKey of 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The InChIKey is MABMUQZGVLTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)17-12-10(8-15)6-5-7-11(12)16-14(3,4)13(17)18/h5-7,9,16H,8,15H2,1-4H3.
What are the key properties of 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is sourced from PubChem (CID 115096051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).