1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one

C13H19N3O — CID 115199281

IUPAC1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one
SMILESCC(N)CCN1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C13H19N3O/c1-9(15)4-5-16-12-3-2-10(8-14)6-11(12)7-13(16)17/h2-3,6,9H,4-5,7-8,14-15H2,1H3
InChIKeyLUVASVSMBFWTHP-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.77
Rot. Bonds4

About 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one

1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one (PubChem CID 115199281) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one
PubChem CID115199281
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one
SMILESCC(N)CCN1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C13H19N3O/c1-9(15)4-5-16-12-3-2-10(8-14)6-11(12)7-13(16)17/h2-3,6,9H,4-5,7-8,14-15H2,1H3
InChIKeyLUVASVSMBFWTHP-UHFFFAOYSA-N
XLogP0.77
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-1-(4-aminopentyl)-3H-indol-2-one
CID 115204017
5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 115206450
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425
1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
CID 115200017
5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
CID 115138116
5-[(3-aminobutylamino)methyl]-1-methyl-3H-indol-2-one
CID 115199282
1-(5-aminohexyl)-3H-indol-2-one
CID 114993593
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-(aminomethyl)-1-(4-amino-3-methylbutanoyl)-3H-indol-2-one
CID 115156370
5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one
CID 115217029
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one?
The IUPAC name of 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one (CID 115199281) is 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one?
The canonical SMILES for 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one is CC(N)CCN1C(=O)Cc2cc(CN)ccc21.
What is the InChIKey of 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one?
The InChIKey is LUVASVSMBFWTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(15)4-5-16-12-3-2-10(8-14)6-11(12)7-13(16)17/h2-3,6,9H,4-5,7-8,14-15H2,1H3.
What are the key properties of 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one?
1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one is sourced from PubChem (CID 115199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).