5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one

C14H21N3O — CID 115138116

IUPAC5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
SMILESCC(C)C(CN)N1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H21N3O/c1-9(2)13(8-16)17-12-4-3-10(7-15)5-11(12)6-14(17)18/h3-5,9,13H,6-8,15-16H2,1-2H3
InChIKeyBYAAVMFQBHHAPK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.02
Rot. Bonds4

About 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one

5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one (PubChem CID 115138116) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
PubChem CID115138116
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
SMILESCC(C)C(CN)N1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H21N3O/c1-9(2)13(8-16)17-12-4-3-10(7-15)5-11(12)6-14(17)18/h3-5,9,13H,6-8,15-16H2,1-2H3
InChIKeyBYAAVMFQBHHAPK-UHFFFAOYSA-N
XLogP1.02
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-1-(4-amino-3-methylbutanoyl)-3H-indol-2-one
CID 115156370
1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one
CID 115199281
5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 115206450
5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
CID 115186974
5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one
CID 117040206
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117
1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
CID 115200017
6-(2-aminoethyl)-1-(1-aminopropan-2-yl)-3,4-dihydroquinolin-2-one
CID 117040081
methyl 2-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]-2-methylpropanoate
CID 115128429
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one?
The IUPAC name of 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one (CID 115138116) is 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one?
The canonical SMILES for 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one is CC(C)C(CN)N1C(=O)Cc2cc(CN)ccc21.
What is the InChIKey of 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one?
The InChIKey is BYAAVMFQBHHAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)13(8-16)17-12-4-3-10(7-15)5-11(12)6-14(17)18/h3-5,9,13H,6-8,15-16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one?
5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one is sourced from PubChem (CID 115138116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).