1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole

C19H27N — CID 129238776

IUPAC1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole
SMILESC=Cc1c(C)n(C(C)C(C)C(C)CC)c2ccccc12
InChIInChI=1S/C19H27N/c1-7-13(3)14(4)15(5)20-16(6)17(8-2)18-11-9-10-12-19(18)20/h8-15H,2,7H2,1,3-6H3
InChIKeyOQBMXTJDXCIGLS-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.84
Rot. Bonds5

About 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole

1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole (PubChem CID 129238776) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole.

Molecular Properties

Compound Name1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole
PubChem CID129238776
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole
SMILESC=Cc1c(C)n(C(C)C(C)C(C)CC)c2ccccc12
InChIInChI=1S/C19H27N/c1-7-13(3)14(4)15(5)20-16(6)17(8-2)18-11-9-10-12-19(18)20/h8-15H,2,7H2,1,3-6H3
InChIKeyOQBMXTJDXCIGLS-UHFFFAOYSA-N
XLogP5.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole?
The IUPAC name of 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole (CID 129238776) is 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole.
What is the SMILES notation for 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole?
The canonical SMILES for 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole is C=Cc1c(C)n(C(C)C(C)C(C)CC)c2ccccc12.
What is the InChIKey of 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole?
The InChIKey is OQBMXTJDXCIGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-7-13(3)14(4)15(5)20-16(6)17(8-2)18-11-9-10-12-19(18)20/h8-15H,2,7H2,1,3-6H3.
What are the key properties of 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole?
1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole has a molecular weight of 269.43 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole is sourced from PubChem (CID 129238776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).