1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole

C16H22N2 — CID 84741440

IUPAC1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole
SMILESCc1cc(C)c2[nH]c3c(c2c1)C(C)(C)CNC3C
InChIInChI=1S/C16H22N2/c1-9-6-10(2)14-12(7-9)13-15(18-14)11(3)17-8-16(13,4)5/h6-7,11,17-18H,8H2,1-5H3
InChIKeyMCOGDMUCBRYMSC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.73
Rot. Bonds

About 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole

1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole (PubChem CID 84741440) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole
PubChem CID84741440
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole
SMILESCc1cc(C)c2[nH]c3c(c2c1)C(C)(C)CNC3C
InChIInChI=1S/C16H22N2/c1-9-6-10(2)14-12(7-9)13-15(18-14)11(3)17-8-16(13,4)5/h6-7,11,17-18H,8H2,1-5H3
InChIKeyMCOGDMUCBRYMSC-UHFFFAOYSA-N
XLogP3.73
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4,4,6,8-hexamethyl-3,9-dihydro-1H-carbazole
CID 103961478
4,6,8-trimethyl-1H-quinoline-2-thione
CID 2442311
1-(3-methoxyphenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4556741
8-methoxy-1,6-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82495185
1-(2,5-dichlorophenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4280171
1-(3-bromophenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3980895
1,3,6-trimethyl-9H-carbazole
CID 139213984
6,8-dimethyl-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3651174
1-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
CID 84630510
2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine
CID 84642841
6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-ol
CID 65332833
(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622450

Frequently Asked Questions

What is the IUPAC name of 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole (CID 84741440) is 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole is Cc1cc(C)c2[nH]c3c(c2c1)C(C)(C)CNC3C.
What is the InChIKey of 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is MCOGDMUCBRYMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-9-6-10(2)14-12(7-9)13-15(18-14)11(3)17-8-16(13,4)5/h6-7,11,17-18H,8H2,1-5H3.
What are the key properties of 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole?
1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 242.37 g/mol, XLogP of 3.73, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,6,8-pentamethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 84741440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).