2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine

C16H19N3 — CID 90460181

IUPAC2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine
SMILESCc1nc(C)c2c(c1C)c1ccccc1n2CCN
InChIInChI=1S/C16H19N3/c1-10-11(2)18-12(3)16-15(10)13-6-4-5-7-14(13)19(16)9-8-17/h4-7H,8-9,17H2,1-3H3
InChIKeyYAEZRICWVZVRIO-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.07
Rot. Bonds2

About 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine

2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine (PubChem CID 90460181) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine
PubChem CID90460181
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine
SMILESCc1nc(C)c2c(c1C)c1ccccc1n2CCN
InChIInChI=1S/C16H19N3/c1-10-11(2)18-12(3)16-15(10)13-6-4-5-7-14(13)19(16)9-8-17/h4-7H,8-9,17H2,1-3H3
InChIKeyYAEZRICWVZVRIO-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)ethanamine
CID 62830447
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one
CID 21445450
3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one
CID 24771246
2-(2,3,7-trimethylindol-1-yl)ethanamine
CID 82491683
3-[[10-(2-aminoethyl)-3,4-dimethylacridin-9-ylidene]amino]oxypropanoic acid
CID 73430428
N',N'-bis[(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methyl]hexane-1,6-diamine
CID 141373714
5,6,7,12-tetramethylindolo[3,2-c]carbazole
CID 134194406
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
CID 1403670
3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium
CID 1403669
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine?
The IUPAC name of 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine (CID 90460181) is 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine.
What is the SMILES notation for 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine?
The canonical SMILES for 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine is Cc1nc(C)c2c(c1C)c1ccccc1n2CCN.
What is the InChIKey of 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine?
The InChIKey is YAEZRICWVZVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-11(2)18-12(3)16-15(10)13-6-4-5-7-14(13)19(16)9-8-17/h4-7H,8-9,17H2,1-3H3.
What are the key properties of 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine?
2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine is sourced from PubChem (CID 90460181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).