5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C14H18N2 — CID 82492831

IUPAC5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCc1ccc(C)c2c1c1c(n2C)CNCC1
InChIInChI=1S/C14H18N2/c1-9-4-5-10(2)14-13(9)11-6-7-15-8-12(11)16(14)3/h4-5,15H,6-8H2,1-3H3
InChIKeyBDPJNJZXJPBQAI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.44
Rot. Bonds

About 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 82492831) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID82492831
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCc1ccc(C)c2c1c1c(n2C)CNCC1
InChIInChI=1S/C14H18N2/c1-9-4-5-10(2)14-13(9)11-6-7-15-8-12(11)16(14)3/h4-5,15H,6-8H2,1-3H3
InChIKeyBDPJNJZXJPBQAI-UHFFFAOYSA-N
XLogP2.44
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 82492831) is 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is Cc1ccc(C)c2c1c1c(n2C)CNCC1.
What is the InChIKey of 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is BDPJNJZXJPBQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-4-5-10(2)14-13(9)11-6-7-15-8-12(11)16(14)3/h4-5,15H,6-8H2,1-3H3.
What are the key properties of 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 214.31 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 82492831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).