1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one

C16H24N2O — CID 82259757

IUPAC1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
SMILESCCC(N)Cc1ccc2c(c1)CCN2C(=O)C(C)C
InChIInChI=1S/C16H24N2O/c1-4-14(17)10-12-5-6-15-13(9-12)7-8-18(15)16(19)11(2)3/h5-6,9,11,14H,4,7-8,10,17H2,1-3H3
InChIKeyGTNISVXICITZEU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.51
Rot. Bonds4

About 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one

1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one (PubChem CID 82259757) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
PubChem CID82259757
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
SMILESCCC(N)Cc1ccc2c(c1)CCN2C(=O)C(C)C
InChIInChI=1S/C16H24N2O/c1-4-14(17)10-12-5-6-15-13(9-12)7-8-18(15)16(19)11(2)3/h5-6,9,11,14H,4,7-8,10,17H2,1-3H3
InChIKeyGTNISVXICITZEU-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-bromobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259297
1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259881
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259825
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
(2S)-2-chloro-1-[5-(hydroxymethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 129496134
1-[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82260508
1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 82341205
4-bromo-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092662
1-[5-(2-chloroacetyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 28803845
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
CID 82259940

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one (CID 82259757) is 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one is CCC(N)Cc1ccc2c(c1)CCN2C(=O)C(C)C.
What is the InChIKey of 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The InChIKey is GTNISVXICITZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-14(17)10-12-5-6-15-13(9-12)7-8-18(15)16(19)11(2)3/h5-6,9,11,14H,4,7-8,10,17H2,1-3H3.
What are the key properties of 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 82259757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).