3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole

C16H25N — CID 126658051

IUPAC3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole
SMILESCC(C)C1=CCC2(C)N=C(C(C)C)C(C)C2=C1
InChIInChI=1S/C16H25N/c1-10(2)13-7-8-16(6)14(9-13)12(5)15(17-16)11(3)4/h7,9-12H,8H2,1-6H3
InChIKeyCLZGEFYKVBYNHO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.40
Rot. Bonds2

About 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole

3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole (PubChem CID 126658051) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole.

Molecular Properties

Compound Name3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole
PubChem CID126658051
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole
SMILESCC(C)C1=CCC2(C)N=C(C(C)C)C(C)C2=C1
InChIInChI=1S/C16H25N/c1-10(2)13-7-8-16(6)14(9-13)12(5)15(17-16)11(3)4/h7,9-12H,8H2,1-6H3
InChIKeyCLZGEFYKVBYNHO-UHFFFAOYSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole?
The IUPAC name of 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole (CID 126658051) is 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole.
What is the SMILES notation for 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole?
The canonical SMILES for 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole is CC(C)C1=CCC2(C)N=C(C(C)C)C(C)C2=C1.
What is the InChIKey of 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole?
The InChIKey is CLZGEFYKVBYNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-10(2)13-7-8-16(6)14(9-13)12(5)15(17-16)11(3)4/h7,9-12H,8H2,1-6H3.
What are the key properties of 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole?
3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole has a molecular weight of 231.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7a-dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole is sourced from PubChem (CID 126658051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).