1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone

C15H22N2O — CID 43684598

IUPAC1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC(C)CNc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H22N2O/c1-4-11(2)10-16-14-5-6-15-13(9-14)7-8-17(15)12(3)18/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyKQOXDMWIPMUYIV-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.05
Rot. Bonds4

About 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 43684598) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID43684598
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC(C)CNc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C15H22N2O/c1-4-11(2)10-16-14-5-6-15-13(9-14)7-8-17(15)12(3)18/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyKQOXDMWIPMUYIV-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71698231
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545
1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110452337
1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 107234999
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone (CID 43684598) is 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone is CCC(C)CNc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is KQOXDMWIPMUYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-11(2)10-16-14-5-6-15-13(9-14)7-8-17(15)12(3)18/h5-6,9,11,16H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 43684598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).