3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine

C9H13N3 — CID 115096329

IUPAC3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine
SMILESCC1CNc2ccc(N)cc2N1
InChIInChI=1S/C9H13N3/c1-6-5-11-8-3-2-7(10)4-9(8)12-6/h2-4,6,11-12H,5,10H2,1H3
InChIKeyULTZHBFFPLCHJU-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.49
Rot. Bonds

About 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine

3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine (PubChem CID 115096329) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine.

Molecular Properties

Compound Name3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine
PubChem CID115096329
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine
SMILESCC1CNc2ccc(N)cc2N1
InChIInChI=1S/C9H13N3/c1-6-5-11-8-3-2-7(10)4-9(8)12-6/h2-4,6,11-12H,5,10H2,1H3
InChIKeyULTZHBFFPLCHJU-UHFFFAOYSA-N
XLogP1.49
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanol
CID 115096326
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891
3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
CID 115098724
(2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine
CID 162600558
5,10-dihydrophenazine-2,7-diamine
CID 102238341
(2S)-5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 135369805
7-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217347
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-7-amine
CID 115099979
8-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 59020663
(3S)-7-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 141423132
8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654802
(3S)-8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654800

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine?
The IUPAC name of 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine (CID 115096329) is 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine.
What is the SMILES notation for 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine?
The canonical SMILES for 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine is CC1CNc2ccc(N)cc2N1.
What is the InChIKey of 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine?
The InChIKey is ULTZHBFFPLCHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-5-11-8-3-2-7(10)4-9(8)12-6/h2-4,6,11-12H,5,10H2,1H3.
What are the key properties of 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine?
3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine has a molecular weight of 163.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3,4-tetrahydroquinoxalin-6-amine is sourced from PubChem (CID 115096329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).