2-(2-methylbutyl)-2,3-dihydro-1H-indole

C13H19N — CID 65042120

IUPAC2-(2-methylbutyl)-2,3-dihydro-1H-indole
SMILESCCC(C)CC1Cc2ccccc2N1
InChIInChI=1S/C13H19N/c1-3-10(2)8-12-9-11-6-4-5-7-13(11)14-12/h4-7,10,12,14H,3,8-9H2,1-2H3
InChIKeyJMLJGVVZWUWKTI-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.46
Rot. Bonds3

About 2-(2-methylbutyl)-2,3-dihydro-1H-indole

2-(2-methylbutyl)-2,3-dihydro-1H-indole (PubChem CID 65042120) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(2-methylbutyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2-methylbutyl)-2,3-dihydro-1H-indole
PubChem CID65042120
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(2-methylbutyl)-2,3-dihydro-1H-indole
SMILESCCC(C)CC1Cc2ccccc2N1
InChIInChI=1S/C13H19N/c1-3-10(2)8-12-9-11-6-4-5-7-13(11)14-12/h4-7,10,12,14H,3,8-9H2,1-2H3
InChIKeyJMLJGVVZWUWKTI-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2-methylbutyl)-2,3-dihydro-1H-indole (CID 65042120) is 2-(2-methylbutyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2-methylbutyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2-methylbutyl)-2,3-dihydro-1H-indole is CCC(C)CC1Cc2ccccc2N1.
What is the InChIKey of 2-(2-methylbutyl)-2,3-dihydro-1H-indole?
The InChIKey is JMLJGVVZWUWKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-10(2)8-12-9-11-6-4-5-7-13(11)14-12/h4-7,10,12,14H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-methylbutyl)-2,3-dihydro-1H-indole?
2-(2-methylbutyl)-2,3-dihydro-1H-indole has a molecular weight of 189.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 65042120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).