1-butyl-3-methyl-2,3-dihydroindole;ethane

C15H25N — CID 143458411

IUPAC1-butyl-3-methyl-2,3-dihydroindole;ethane
SMILESCC.CCCCN1CC(C)c2ccccc21
InChIInChI=1S/C13H19N.C2H6/c1-3-4-9-14-10-11(2)12-7-5-6-8-13(12)14;1-2/h5-8,11H,3-4,9-10H2,1-2H3;1-2H3
InChIKeyOPZZEYVBKOUSOM-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.44
Rot. Bonds3

About 1-butyl-3-methyl-2,3-dihydroindole;ethane

1-butyl-3-methyl-2,3-dihydroindole;ethane (PubChem CID 143458411) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-butyl-3-methyl-2,3-dihydroindole;ethane.

Molecular Properties

Compound Name1-butyl-3-methyl-2,3-dihydroindole;ethane
PubChem CID143458411
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-butyl-3-methyl-2,3-dihydroindole;ethane
SMILESCC.CCCCN1CC(C)c2ccccc21
InChIInChI=1S/C13H19N.C2H6/c1-3-4-9-14-10-11(2)12-7-5-6-8-13(12)14;1-2/h5-8,11H,3-4,9-10H2,1-2H3;1-2H3
InChIKeyOPZZEYVBKOUSOM-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol
CID 110931658
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
5-bromo-3-methyl-1-propyl-2,3-dihydroindole
CID 83960311
1-iodo-3-methyl-2,3-dihydroindole
CID 89186516
1-butyl-3-methyl-2H-benzimidazole;hydrofluoride
CID 173351817
3-(3-phenyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 154295014
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-butyl-2,3-dihydroindole
CID 4167209
CID 174524249
CID 174524249
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
5,8-diethyl-6,6a,7,12b-tetrahydroquinolino[3,4-c]quinoline
CID 3714265

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2,3-dihydroindole;ethane?
The IUPAC name of 1-butyl-3-methyl-2,3-dihydroindole;ethane (CID 143458411) is 1-butyl-3-methyl-2,3-dihydroindole;ethane.
What is the SMILES notation for 1-butyl-3-methyl-2,3-dihydroindole;ethane?
The canonical SMILES for 1-butyl-3-methyl-2,3-dihydroindole;ethane is CC.CCCCN1CC(C)c2ccccc21.
What is the InChIKey of 1-butyl-3-methyl-2,3-dihydroindole;ethane?
The InChIKey is OPZZEYVBKOUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-3-4-9-14-10-11(2)12-7-5-6-8-13(12)14;1-2/h5-8,11H,3-4,9-10H2,1-2H3;1-2H3.
What are the key properties of 1-butyl-3-methyl-2,3-dihydroindole;ethane?
1-butyl-3-methyl-2,3-dihydroindole;ethane has a molecular weight of 219.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2,3-dihydroindole;ethane is sourced from PubChem (CID 143458411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).