2,2-dimethyl-1,3-dihydroindole;ethane

C12H19N — CID 90930598

IUPAC2,2-dimethyl-1,3-dihydroindole;ethane
SMILESCC.CC1(C)Cc2ccccc2N1
InChIInChI=1S/C10H13N.C2H6/c1-10(2)7-8-5-3-4-6-9(8)11-10;1-2/h3-6,11H,7H2,1-2H3;1-2H3
InChIKeyCZRLTEAMJXPLKL-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.46
Rot. Bonds

About 2,2-dimethyl-1,3-dihydroindole;ethane

2,2-dimethyl-1,3-dihydroindole;ethane (PubChem CID 90930598) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroindole;ethane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroindole;ethane
PubChem CID90930598
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2,2-dimethyl-1,3-dihydroindole;ethane
SMILESCC.CC1(C)Cc2ccccc2N1
InChIInChI=1S/C10H13N.C2H6/c1-10(2)7-8-5-3-4-6-9(8)11-10;1-2/h3-6,11H,7H2,1-2H3;1-2H3
InChIKeyCZRLTEAMJXPLKL-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydroindole;ethane?
The IUPAC name of 2,2-dimethyl-1,3-dihydroindole;ethane (CID 90930598) is 2,2-dimethyl-1,3-dihydroindole;ethane.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroindole;ethane?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroindole;ethane is CC.CC1(C)Cc2ccccc2N1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroindole;ethane?
The InChIKey is CZRLTEAMJXPLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-10(2)7-8-5-3-4-6-9(8)11-10;1-2/h3-6,11H,7H2,1-2H3;1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dihydroindole;ethane?
2,2-dimethyl-1,3-dihydroindole;ethane has a molecular weight of 177.29 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroindole;ethane is sourced from PubChem (CID 90930598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).