5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one

C15H22N2O — CID 82172936

IUPAC5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one
SMILESCCCC(N)c1cc(CC)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C15H22N2O/c1-4-6-13(16)11-7-10(5-2)14-12(8-11)9(3)15(18)17-14/h7-9,13H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyVTYSNSJSKOCJCA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.10
Rot. Bonds4

About 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one

5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82172936) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one
PubChem CID82172936
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one
SMILESCCCC(N)c1cc(CC)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C15H22N2O/c1-4-6-13(16)11-7-10(5-2)14-12(8-11)9(3)15(18)17-14/h7-9,13H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyVTYSNSJSKOCJCA-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173710
7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172449
5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82173824
5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173711
7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one
CID 82172971
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974
5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172787
7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190657
5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172765
7-(1-amino-2,2-dimethylpropyl)-5-ethyl-3-methyl-1,3-dihydroindol-2-one
CID 82172621
7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172446
7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190653

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one (CID 82172936) is 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one is CCCC(N)c1cc(CC)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is VTYSNSJSKOCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-6-13(16)11-7-10(5-2)14-12(8-11)9(3)15(18)17-14/h7-9,13H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one?
5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutyl)-7-ethyl-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).