1-(2,2-dimethylpropyl)-5-methylindole

C14H19N — CID 90966063

IUPAC1-(2,2-dimethylpropyl)-5-methylindole
SMILESCc1ccc2c(ccn2CC(C)(C)C)c1
InChIInChI=1S/C14H19N/c1-11-5-6-13-12(9-11)7-8-15(13)10-14(2,3)4/h5-9H,10H2,1-4H3
InChIKeyMZBSDYXPFWDEGN-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.00
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-5-methylindole

1-(2,2-dimethylpropyl)-5-methylindole (PubChem CID 90966063) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-methylindole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-methylindole
PubChem CID90966063
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2,2-dimethylpropyl)-5-methylindole
SMILESCc1ccc2c(ccn2CC(C)(C)C)c1
InChIInChI=1S/C14H19N/c1-11-5-6-13-12(9-11)7-8-15(13)10-14(2,3)4/h5-9H,10H2,1-4H3
InChIKeyMZBSDYXPFWDEGN-UHFFFAOYSA-N
XLogP4.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-5-methylindole?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-methylindole (CID 90966063) is 1-(2,2-dimethylpropyl)-5-methylindole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-methylindole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-methylindole is Cc1ccc2c(ccn2CC(C)(C)C)c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-methylindole?
The InChIKey is MZBSDYXPFWDEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-5-6-13-12(9-11)7-8-15(13)10-14(2,3)4/h5-9H,10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-methylindole?
1-(2,2-dimethylpropyl)-5-methylindole has a molecular weight of 201.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-methylindole is sourced from PubChem (CID 90966063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).