8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one

C12H17N3O — CID 115096601

IUPAC8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
SMILESCC(C)N1CC(=O)Nc2c(CN)cccc21
InChIInChI=1S/C12H17N3O/c1-8(2)15-7-11(16)14-12-9(6-13)4-3-5-10(12)15/h3-5,8H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyNKJTVJXVLFBZHI-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.31
Rot. Bonds2

About 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one

8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one (PubChem CID 115096601) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
PubChem CID115096601
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
SMILESCC(C)N1CC(=O)Nc2c(CN)cccc21
InChIInChI=1S/C12H17N3O/c1-8(2)15-7-11(16)14-12-9(6-13)4-3-5-10(12)15/h3-5,8H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyNKJTVJXVLFBZHI-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096604
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
CID 115096627
4-[2-(aminomethyl)phenyl]-3-methylpiperazine-2,6-dione
CID 66061098
6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 113393211
1-(2-methylpropyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile
CID 104720285
5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 83844763
8-amino-4-methyl-1,3-dihydroquinoxalin-2-one
CID 68704055
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide
CID 63571192
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
CID 43174942
8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096051
5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 115095793
4-[2-[2-(aminomethyl)phenoxy]ethyl]piperazine-2,6-dione
CID 66085454

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one (CID 115096601) is 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one is CC(C)N1CC(=O)Nc2c(CN)cccc21.
What is the InChIKey of 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The InChIKey is NKJTVJXVLFBZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)15-7-11(16)14-12-9(6-13)4-3-5-10(12)15/h3-5,8H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115096601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).