3,3,6-trimethyl-1,2,7,7a-tetrahydroindole

C11H17N — CID 152878348

IUPAC3,3,6-trimethyl-1,2,7,7a-tetrahydroindole
SMILESCC1=CC=C2C(C1)NCC2(C)C
InChIInChI=1S/C11H17N/c1-8-4-5-9-10(6-8)12-7-11(9,2)3/h4-5,10,12H,6-7H2,1-3H3
InChIKeyUAWNSWKLVZCFGS-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.26
Rot. Bonds

About 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole

3,3,6-trimethyl-1,2,7,7a-tetrahydroindole (PubChem CID 152878348) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole.

Molecular Properties

Compound Name3,3,6-trimethyl-1,2,7,7a-tetrahydroindole
PubChem CID152878348
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3,3,6-trimethyl-1,2,7,7a-tetrahydroindole
SMILESCC1=CC=C2C(C1)NCC2(C)C
InChIInChI=1S/C11H17N/c1-8-4-5-9-10(6-8)12-7-11(9,2)3/h4-5,10,12H,6-7H2,1-3H3
InChIKeyUAWNSWKLVZCFGS-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole?
The IUPAC name of 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole (CID 152878348) is 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole.
What is the SMILES notation for 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole?
The canonical SMILES for 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole is CC1=CC=C2C(C1)NCC2(C)C.
What is the InChIKey of 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole?
The InChIKey is UAWNSWKLVZCFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-4-5-9-10(6-8)12-7-11(9,2)3/h4-5,10,12H,6-7H2,1-3H3.
What are the key properties of 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole?
3,3,6-trimethyl-1,2,7,7a-tetrahydroindole has a molecular weight of 163.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-1,2,7,7a-tetrahydroindole is sourced from PubChem (CID 152878348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).