3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole

C16H18N2O — CID 10402001

IUPAC3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole
SMILESCC(C)(C)COc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3
InChIKeyYABCOKXBPACNCE-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.14
Rot. Bonds2

About 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole

3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole (PubChem CID 10402001) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole
PubChem CID10402001
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole
SMILESCC(C)(C)COc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3
InChIKeyYABCOKXBPACNCE-UHFFFAOYSA-N
XLogP4.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole?
The IUPAC name of 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole (CID 10402001) is 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole is CC(C)(C)COc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole?
The InChIKey is YABCOKXBPACNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole?
3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole has a molecular weight of 254.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10402001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).