1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole

C16H22N2 — CID 58793158

IUPAC1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCCCN1CCc2c(n(C)c3ccccc23)C1C
InChIInChI=1S/C16H22N2/c1-4-10-18-11-9-14-13-7-5-6-8-15(13)17(3)16(14)12(18)2/h5-8,12H,4,9-11H2,1-3H3
InChIKeyIOVKPXHMACQPLX-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.51
Rot. Bonds2

About 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole

1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 58793158) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID58793158
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCCCN1CCc2c(n(C)c3ccccc23)C1C
InChIInChI=1S/C16H22N2/c1-4-10-18-11-9-14-13-7-5-6-8-15(13)17(3)16(14)12(18)2/h5-8,12H,4,9-11H2,1-3H3
InChIKeyIOVKPXHMACQPLX-UHFFFAOYSA-N
XLogP3.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole (CID 58793158) is 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole is CCCN1CCc2c(n(C)c3ccccc23)C1C.
What is the InChIKey of 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is IOVKPXHMACQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-10-18-11-9-14-13-7-5-6-8-15(13)17(3)16(14)12(18)2/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 242.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 58793158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).