6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole

C17H20N2 — CID 67988444

IUPAC6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole
SMILESCn1c2ccc(CC(C)(C)C)cc2c2ccncc21
InChIInChI=1S/C17H20N2/c1-17(2,3)10-12-5-6-15-14(9-12)13-7-8-18-11-16(13)19(15)4/h5-9,11H,10H2,1-4H3
InChIKeyIVVBHYMLYCNQOU-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.32
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole

6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole (PubChem CID 67988444) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole
PubChem CID67988444
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole
SMILESCn1c2ccc(CC(C)(C)C)cc2c2ccncc21
InChIInChI=1S/C17H20N2/c1-17(2,3)10-12-5-6-15-14(9-12)13-7-8-18-11-16(13)19(15)4/h5-9,11H,10H2,1-4H3
InChIKeyIVVBHYMLYCNQOU-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole?
The IUPAC name of 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole (CID 67988444) is 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole?
The canonical SMILES for 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole is Cn1c2ccc(CC(C)(C)C)cc2c2ccncc21.
What is the InChIKey of 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole?
The InChIKey is IVVBHYMLYCNQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-17(2,3)10-12-5-6-15-14(9-12)13-7-8-18-11-16(13)19(15)4/h5-9,11H,10H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole?
6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole has a molecular weight of 252.36 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole is sourced from PubChem (CID 67988444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).