3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium

C18H24N3+ — CID 1403669

IUPAC3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium
SMILESCc1cc2c3ccccc3n(CCC[NH+](C)C)c2c(C)n1
InChIInChI=1S/C18H23N3/c1-13-12-16-15-8-5-6-9-17(15)21(11-7-10-20(3)4)18(16)14(2)19-13/h5-6,8-9,12H,7,10-11H2,1-4H3/p+1
InChIKeyLHEQMTCMJWEKGO-UHFFFAOYSA-O
MW282.41 g/mol
LogP2.34
Rot. Bonds4

About 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium

3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium (PubChem CID 1403669) has the molecular formula C18H24N3+ and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium.

Molecular Properties

Compound Name3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium
PubChem CID1403669
Molecular FormulaC18H24N3+
Molecular Weight282.41 g/mol
Exact Mass282.20
IUPAC Name3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium
SMILESCc1cc2c3ccccc3n(CCC[NH+](C)C)c2c(C)n1
InChIInChI=1S/C18H23N3/c1-13-12-16-15-8-5-6-9-17(15)21(11-7-10-20(3)4)18(16)14(2)19-13/h5-6,8-9,12H,7,10-11H2,1-4H3/p+1
InChIKeyLHEQMTCMJWEKGO-UHFFFAOYSA-O
XLogP2.34
TPSA22.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
CID 1403670
9-butyl-1-(2-chlorophenyl)-3-methylpyrido[3,4-b]indole
CID 174732633
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
N,N'-bis[(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methyl]hexane-1,6-diamine
CID 134140147
N',N'-bis[(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methyl]hexane-1,6-diamine
CID 141373714
N-[(9-butyl-1-methylpyrido[3,4-b]indol-3-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 46848429
3-fluoro-1-methyl-9-(2-piperazin-1-ylethyl)pyrido[3,4-b]indole
CID 144721934
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
1,9-dimethylpyrido[3,4-b]indol-3-amine
CID 115027398
N,N-diethyl-3-[[1-methyl-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methylideneamino]propan-1-amine
CID 46849930
2-(1,3,4-trimethylpyrido[3,4-b]indol-9-yl)ethanamine
CID 90460181
3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride
CID 10500398

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium?
The IUPAC name of 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium (CID 1403669) is 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium.
What is the SMILES notation for 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium?
The canonical SMILES for 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium is Cc1cc2c3ccccc3n(CCC[NH+](C)C)c2c(C)n1.
What is the InChIKey of 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium?
The InChIKey is LHEQMTCMJWEKGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3/c1-13-12-16-15-8-5-6-9-17(15)21(11-7-10-20(3)4)18(16)14(2)19-13/h5-6,8-9,12H,7,10-11H2,1-4H3/p+1.
What are the key properties of 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium?
3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium has a molecular weight of 282.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)propyl-dimethylazanium is sourced from PubChem (CID 1403669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).