1,9-dimethylpyrido[3,4-b]indol-3-amine

C13H13N3 — CID 115027398

IUPAC1,9-dimethylpyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)cc2c3ccccc3n(C)c12
InChIInChI=1S/C13H13N3/c1-8-13-10(7-12(14)15-8)9-5-3-4-6-11(9)16(13)2/h3-7H,1-2H3,(H2,14,15)
InChIKeyMSMINQBWTQBKTF-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.62
Rot. Bonds

About 1,9-dimethylpyrido[3,4-b]indol-3-amine

1,9-dimethylpyrido[3,4-b]indol-3-amine (PubChem CID 115027398) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,9-dimethylpyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name1,9-dimethylpyrido[3,4-b]indol-3-amine
PubChem CID115027398
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1,9-dimethylpyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)cc2c3ccccc3n(C)c12
InChIInChI=1S/C13H13N3/c1-8-13-10(7-12(14)15-8)9-5-3-4-6-11(9)16(13)2/h3-7H,1-2H3,(H2,14,15)
InChIKeyMSMINQBWTQBKTF-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-dimethyl-3-nitropyrido[3,4-b]indole
CID 135060305
sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate
CID 23663807
5,11-dimethylbenzo[a]carbazole
CID 58410472
ethane;9-methylcarbazol-1-amine
CID 142426342
1,9-dimethyl-3-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]pyrido[3,4-b]indole
CID 175065484
ethane;bis(9-methylcarbazole)
CID 159710949
1,9-dimethyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]pyrido[3,4-b]indole iodide
CID 175352623
1,9-dimethyl-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]pyrido[3,4-b]indole iodide
CID 175114391
2-(3-amino-9-methylcarbazol-1-yl)phenol
CID 174518206
1,9,10-trimethylimidazo[4,5-b]carbazole
CID 158614812
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
ethane;9-methylcarbazole;triphenylene
CID 142356751

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethylpyrido[3,4-b]indol-3-amine?
The IUPAC name of 1,9-dimethylpyrido[3,4-b]indol-3-amine (CID 115027398) is 1,9-dimethylpyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 1,9-dimethylpyrido[3,4-b]indol-3-amine?
The canonical SMILES for 1,9-dimethylpyrido[3,4-b]indol-3-amine is Cc1nc(N)cc2c3ccccc3n(C)c12.
What is the InChIKey of 1,9-dimethylpyrido[3,4-b]indol-3-amine?
The InChIKey is MSMINQBWTQBKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-8-13-10(7-12(14)15-8)9-5-3-4-6-11(9)16(13)2/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 1,9-dimethylpyrido[3,4-b]indol-3-amine?
1,9-dimethylpyrido[3,4-b]indol-3-amine has a molecular weight of 211.27 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethylpyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 115027398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).