5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one

C14H21N3O — CID 115206450

IUPAC5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
SMILESCC(C)NCCN1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H21N3O/c1-10(2)16-5-6-17-13-4-3-11(9-15)7-12(13)8-14(17)18/h3-4,7,10,16H,5-6,8-9,15H2,1-2H3
InChIKeyRARAEHKPNSJDDQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.03
Rot. Bonds5

About 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one

5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one (PubChem CID 115206450) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
PubChem CID115206450
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
SMILESCC(C)NCCN1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H21N3O/c1-10(2)16-5-6-17-13-4-3-11(9-15)7-12(13)8-14(17)18/h3-4,7,10,16H,5-6,8-9,15H2,1-2H3
InChIKeyRARAEHKPNSJDDQ-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one
CID 115199281
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
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
5-(2-aminoethyl)-1-(4-aminopentyl)-3H-indol-2-one
CID 115204017
5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
CID 115138116
1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115206096
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 115208250
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-(aminomethyl)-1-(4-amino-3-methylbutanoyl)-3H-indol-2-one
CID 115156370

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one?
The IUPAC name of 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one (CID 115206450) is 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one?
The canonical SMILES for 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one is CC(C)NCCN1C(=O)Cc2cc(CN)ccc21.
What is the InChIKey of 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one?
The InChIKey is RARAEHKPNSJDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)16-5-6-17-13-4-3-11(9-15)7-12(13)8-14(17)18/h3-4,7,10,16H,5-6,8-9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one?
5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one is sourced from PubChem (CID 115206450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).