3-butyl-5-methyl-2,3-dihydro-1H-indole

C13H19N — CID 106820126

IUPAC3-butyl-5-methyl-2,3-dihydro-1H-indole
SMILESCCCCC1CNc2ccc(C)cc21
InChIInChI=1S/C13H19N/c1-3-4-5-11-9-14-13-7-6-10(2)8-12(11)13/h6-8,11,14H,3-5,9H2,1-2H3
InChIKeyRAOHPLHYDXHNKE-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.69
Rot. Bonds3

About 3-butyl-5-methyl-2,3-dihydro-1H-indole

3-butyl-5-methyl-2,3-dihydro-1H-indole (PubChem CID 106820126) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-butyl-5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-butyl-5-methyl-2,3-dihydro-1H-indole
PubChem CID106820126
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-butyl-5-methyl-2,3-dihydro-1H-indole
SMILESCCCCC1CNc2ccc(C)cc21
InChIInChI=1S/C13H19N/c1-3-4-5-11-9-14-13-7-6-10(2)8-12(11)13/h6-8,11,14H,3-5,9H2,1-2H3
InChIKeyRAOHPLHYDXHNKE-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-butyl-5-methyl-2,3-dihydro-1H-indole (CID 106820126) is 3-butyl-5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-butyl-5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-butyl-5-methyl-2,3-dihydro-1H-indole is CCCCC1CNc2ccc(C)cc21.
What is the InChIKey of 3-butyl-5-methyl-2,3-dihydro-1H-indole?
The InChIKey is RAOHPLHYDXHNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-4-5-11-9-14-13-7-6-10(2)8-12(11)13/h6-8,11,14H,3-5,9H2,1-2H3.
What are the key properties of 3-butyl-5-methyl-2,3-dihydro-1H-indole?
3-butyl-5-methyl-2,3-dihydro-1H-indole has a molecular weight of 189.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106820126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).