6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole

C16H24N2 — CID 170086750

IUPAC6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCCCN1c2c(C)cccc2C2(C)CNCCC12
InChIInChI=1S/C16H24N2/c1-4-10-18-14-8-9-17-11-16(14,3)13-7-5-6-12(2)15(13)18/h5-7,14,17H,4,8-11H2,1-3H3
InChIKeyJQDPVJHSWNOQLO-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.84
Rot. Bonds2

About 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole

6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 170086750) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID170086750
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCCCN1c2c(C)cccc2C2(C)CNCCC12
InChIInChI=1S/C16H24N2/c1-4-10-18-14-8-9-17-11-16(14,3)13-7-5-6-12(2)15(13)18/h5-7,14,17H,4,8-11H2,1-3H3
InChIKeyJQDPVJHSWNOQLO-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-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 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole (CID 170086750) is 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole is CCCN1c2c(C)cccc2C2(C)CNCCC12.
What is the InChIKey of 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is JQDPVJHSWNOQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-10-18-14-8-9-17-11-16(14,3)13-7-5-6-12(2)15(13)18/h5-7,14,17H,4,8-11H2,1-3H3.
What are the key properties of 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole?
6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 244.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9b-dimethyl-5-propyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 170086750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).