5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole

C17H20N2 — CID 67988473

IUPAC5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole
SMILESCCC(C)(C)c1ccc2c(c1)c1ncccc1n2C
InChIInChI=1S/C17H20N2/c1-5-17(2,3)12-8-9-14-13(11-12)16-15(19(14)4)7-6-10-18-16/h6-11H,5H2,1-4H3
InChIKeyFIUSYEFIUPXJFV-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.41
Rot. Bonds2

About 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole

5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole (PubChem CID 67988473) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole
PubChem CID67988473
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole
SMILESCCC(C)(C)c1ccc2c(c1)c1ncccc1n2C
InChIInChI=1S/C17H20N2/c1-5-17(2,3)12-8-9-14-13(11-12)16-15(19(14)4)7-6-10-18-16/h6-11H,5H2,1-4H3
InChIKeyFIUSYEFIUPXJFV-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole (CID 67988473) is 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole is CCC(C)(C)c1ccc2c(c1)c1ncccc1n2C.
What is the InChIKey of 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole?
The InChIKey is FIUSYEFIUPXJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-5-17(2,3)12-8-9-14-13(11-12)16-15(19(14)4)7-6-10-18-16/h6-11H,5H2,1-4H3.
What are the key properties of 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole?
5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole has a molecular weight of 252.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 67988473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).