1-(3-methylbutyl)-2,3-dihydroindole

C13H19N — CID 143815180

IUPAC1-(3-methylbutyl)-2,3-dihydroindole
SMILESCC(C)CCN1CCc2ccccc21
InChIInChI=1S/C13H19N/c1-11(2)7-9-14-10-8-12-5-3-4-6-13(12)14/h3-6,11H,7-10H2,1-2H3
InChIKeyMNQFGRISFNDPKP-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-methylbutyl)-2,3-dihydroindole

1-(3-methylbutyl)-2,3-dihydroindole (PubChem CID 143815180) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-methylbutyl)-2,3-dihydroindole
PubChem CID143815180
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(3-methylbutyl)-2,3-dihydroindole
SMILESCC(C)CCN1CCc2ccccc21
InChIInChI=1S/C13H19N/c1-11(2)7-9-14-10-8-12-5-3-4-6-13(12)14/h3-6,11H,7-10H2,1-2H3
InChIKeyMNQFGRISFNDPKP-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-butyl-2,3-dihydroindole
CID 4167209
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile
CID 63028473
N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033810
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2,3-dihydroindole?
The IUPAC name of 1-(3-methylbutyl)-2,3-dihydroindole (CID 143815180) is 1-(3-methylbutyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(3-methylbutyl)-2,3-dihydroindole?
The canonical SMILES for 1-(3-methylbutyl)-2,3-dihydroindole is CC(C)CCN1CCc2ccccc21.
What is the InChIKey of 1-(3-methylbutyl)-2,3-dihydroindole?
The InChIKey is MNQFGRISFNDPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)7-9-14-10-8-12-5-3-4-6-13(12)14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-2,3-dihydroindole?
1-(3-methylbutyl)-2,3-dihydroindole has a molecular weight of 189.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2,3-dihydroindole is sourced from PubChem (CID 143815180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).