2,5-dimethyl-1H-indole;ethane;propane

C15H25N — CID 144992538

IUPAC2,5-dimethyl-1H-indole;ethane;propane
SMILESCC.CCC.Cc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C10H11N.C3H8.C2H6/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-3-2;1-2/h3-6,11H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyPXJWRXMHVBIDER-UHFFFAOYSA-N
MW219.37 g/mol
LogP5.23
Rot. Bonds

About 2,5-dimethyl-1H-indole;ethane;propane

2,5-dimethyl-1H-indole;ethane;propane (PubChem CID 144992538) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,5-dimethyl-1H-indole;ethane;propane.

Molecular Properties

Compound Name2,5-dimethyl-1H-indole;ethane;propane
PubChem CID144992538
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,5-dimethyl-1H-indole;ethane;propane
SMILESCC.CCC.Cc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C10H11N.C3H8.C2H6/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-3-2;1-2/h3-6,11H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyPXJWRXMHVBIDER-UHFFFAOYSA-N
XLogP5.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.37
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-indole;ethane;propane?
The IUPAC name of 2,5-dimethyl-1H-indole;ethane;propane (CID 144992538) is 2,5-dimethyl-1H-indole;ethane;propane.
What is the SMILES notation for 2,5-dimethyl-1H-indole;ethane;propane?
The canonical SMILES for 2,5-dimethyl-1H-indole;ethane;propane is CC.CCC.Cc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of 2,5-dimethyl-1H-indole;ethane;propane?
The InChIKey is PXJWRXMHVBIDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C3H8.C2H6/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-3-2;1-2/h3-6,11H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1H-indole;ethane;propane?
2,5-dimethyl-1H-indole;ethane;propane has a molecular weight of 219.37 g/mol, XLogP of 5.23, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-indole;ethane;propane is sourced from PubChem (CID 144992538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).