6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole

C16H22N2 — CID 84741409

IUPAC6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCCc1ccc2c(c1)c1c(n2C)CNC(C)(C)C1
InChIInChI=1S/C16H22N2/c1-5-11-6-7-14-12(8-11)13-9-16(2,3)17-10-15(13)18(14)4/h6-8,17H,5,9-10H2,1-4H3
InChIKeyANNQDWJLUMXETO-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.16
Rot. Bonds1

About 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole

6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 84741409) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID84741409
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCCc1ccc2c(c1)c1c(n2C)CNC(C)(C)C1
InChIInChI=1S/C16H22N2/c1-5-11-6-7-14-12(8-11)13-9-16(2,3)17-10-15(13)18(14)4/h6-8,17H,5,9-10H2,1-4H3
InChIKeyANNQDWJLUMXETO-UHFFFAOYSA-N
XLogP3.16
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole (CID 84741409) is 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole is CCc1ccc2c(c1)c1c(n2C)CNC(C)(C)C1.
What is the InChIKey of 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is ANNQDWJLUMXETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-11-6-7-14-12(8-11)13-9-16(2,3)17-10-15(13)18(14)4/h6-8,17H,5,9-10H2,1-4H3.
What are the key properties of 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole?
6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 242.37 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 84741409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).