ethane;1,2,3-trimethylindole

C19H37N — CID 91590745

IUPACethane;1,2,3-trimethylindole
SMILESCC.CC.CC.CC.Cc1c(C)n(C)c2ccccc12
InChIInChI=1S/C11H13N.4C2H6/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;4*1-2/h4-7H,1-3H3;4*1-2H3
InChIKeyIIGSHUXILMORKA-UHFFFAOYSA-N
MW279.51 g/mol
LogP6.90
Rot. Bonds

About ethane;1,2,3-trimethylindole

ethane;1,2,3-trimethylindole (PubChem CID 91590745) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is ethane;1,2,3-trimethylindole.

Molecular Properties

Compound Nameethane;1,2,3-trimethylindole
PubChem CID91590745
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Nameethane;1,2,3-trimethylindole
SMILESCC.CC.CC.CC.Cc1c(C)n(C)c2ccccc12
InChIInChI=1S/C11H13N.4C2H6/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;4*1-2/h4-7H,1-3H3;4*1-2H3
InChIKeyIIGSHUXILMORKA-UHFFFAOYSA-N
XLogP6.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3-trimethylindole?
The IUPAC name of ethane;1,2,3-trimethylindole (CID 91590745) is ethane;1,2,3-trimethylindole.
What is the SMILES notation for ethane;1,2,3-trimethylindole?
The canonical SMILES for ethane;1,2,3-trimethylindole is CC.CC.CC.CC.Cc1c(C)n(C)c2ccccc12.
What is the InChIKey of ethane;1,2,3-trimethylindole?
The InChIKey is IIGSHUXILMORKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.4C2H6/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;4*1-2/h4-7H,1-3H3;4*1-2H3.
What are the key properties of ethane;1,2,3-trimethylindole?
ethane;1,2,3-trimethylindole has a molecular weight of 279.51 g/mol, XLogP of 6.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3-trimethylindole is sourced from PubChem (CID 91590745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).