6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole

C13H18N2 — CID 91352720

IUPAC6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole
SMILESCC1=CC(C)C2N=C3CCNCC3C2=C1
InChIInChI=1S/C13H18N2/c1-8-5-9(2)13-10(6-8)11-7-14-4-3-12(11)15-13/h5-6,9,11,13-14H,3-4,7H2,1-2H3
InChIKeyUUECLKJZOAPCDW-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.94
Rot. Bonds

About 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole

6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole (PubChem CID 91352720) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole
PubChem CID91352720
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole
SMILESCC1=CC(C)C2N=C3CCNCC3C2=C1
InChIInChI=1S/C13H18N2/c1-8-5-9(2)13-10(6-8)11-7-14-4-3-12(11)15-13/h5-6,9,11,13-14H,3-4,7H2,1-2H3
InChIKeyUUECLKJZOAPCDW-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

Hexahydropyrroloisoquinoline
CID 67544643
8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 90852966
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 123527109
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-c]pyridine
CID 123653362
(4,6-Difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
CID 142867709
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,9(16),11-triene
CID 56606567
3a,5,6,7,8,8a,9,9a-octahydro-3H-pyrrolo[2,3-g]isoquinoline
CID 56634276
6,16-Diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene
CID 56994580
3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
2-Cyclopentyl-6-piperidin-3-yl-2,3-dihydropyridine
CID 66612629
2,3,4,4a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 68572676
2-piperidin-4-yl-2H-indole
CID 69374500

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole (CID 91352720) is 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole is CC1=CC(C)C2N=C3CCNCC3C2=C1.
What is the InChIKey of 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole?
The InChIKey is UUECLKJZOAPCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8-5-9(2)13-10(6-8)11-7-14-4-3-12(11)15-13/h5-6,9,11,13-14H,3-4,7H2,1-2H3.
What are the key properties of 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole?
6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole has a molecular weight of 202.30 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 91352720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).