3,3-dimethyl-2-propan-2-ylindole

C13H17N — CID 14316364

IUPAC3,3-dimethyl-2-propan-2-ylindole
SMILESCC(C)C1=Nc2ccccc2C1(C)C
InChIInChI=1S/C13H17N/c1-9(2)12-13(3,4)10-7-5-6-8-11(10)14-12/h5-9H,1-4H3
InChIKeyAPYAKKJHTFWKHJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.71
Rot. Bonds1

About 3,3-dimethyl-2-propan-2-ylindole

3,3-dimethyl-2-propan-2-ylindole (PubChem CID 14316364) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-ylindole.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-ylindole
PubChem CID14316364
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3,3-dimethyl-2-propan-2-ylindole
SMILESCC(C)C1=Nc2ccccc2C1(C)C
InChIInChI=1S/C13H17N/c1-9(2)12-13(3,4)10-7-5-6-8-11(10)14-12/h5-9H,1-4H3
InChIKeyAPYAKKJHTFWKHJ-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propan-2-ylindole?
The IUPAC name of 3,3-dimethyl-2-propan-2-ylindole (CID 14316364) is 3,3-dimethyl-2-propan-2-ylindole.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-ylindole?
The canonical SMILES for 3,3-dimethyl-2-propan-2-ylindole is CC(C)C1=Nc2ccccc2C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-propan-2-ylindole?
The InChIKey is APYAKKJHTFWKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9(2)12-13(3,4)10-7-5-6-8-11(10)14-12/h5-9H,1-4H3.
What are the key properties of 3,3-dimethyl-2-propan-2-ylindole?
3,3-dimethyl-2-propan-2-ylindole has a molecular weight of 187.29 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-ylindole is sourced from PubChem (CID 14316364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).