2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole

C13H25N — CID 130375164

IUPAC2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC1CC2CC(C)(C)NC2C(C)C1C
InChIInChI=1S/C13H25N/c1-8-6-11-7-13(4,5)14-12(11)10(3)9(8)2/h8-12,14H,6-7H2,1-5H3
InChIKeyHAAMCWNHVBRUGY-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.06
Rot. Bonds

About 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole

2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 130375164) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID130375164
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC1CC2CC(C)(C)NC2C(C)C1C
InChIInChI=1S/C13H25N/c1-8-6-11-7-13(4,5)14-12(11)10(3)9(8)2/h8-12,14H,6-7H2,1-5H3
InChIKeyHAAMCWNHVBRUGY-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole (CID 130375164) is 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole is CC1CC2CC(C)(C)NC2C(C)C1C.
What is the InChIKey of 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is HAAMCWNHVBRUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8-6-11-7-13(4,5)14-12(11)10(3)9(8)2/h8-12,14H,6-7H2,1-5H3.
What are the key properties of 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole?
2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 195.35 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6,7-pentamethyl-1,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 130375164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).