1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one

C14H21N3O — CID 115200017

IUPAC1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
SMILESCC(C)(CN)CN1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,8-16)9-17-12-4-3-10(7-15)5-11(12)6-13(17)18/h3-5H,6-9,15-16H2,1-2H3
InChIKeyDLCYPBZNVMQHEH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.02
Rot. Bonds4

About 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one

1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one (PubChem CID 115200017) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
PubChem CID115200017
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
SMILESCC(C)(CN)CN1C(=O)Cc2cc(CN)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,8-16)9-17-12-4-3-10(7-15)5-11(12)6-13(17)18/h3-5H,6-9,15-16H2,1-2H3
InChIKeyDLCYPBZNVMQHEH-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

4-(3-amino-2,2-dimethylpropyl)-6-(aminomethyl)-1,4-benzoxazin-3-one
CID 115200043
5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 115206450
1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one
CID 115199281
5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one
CID 115258033
methyl 2-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]-2-methylpropanoate
CID 115128429
6-(aminomethyl)-1-[2-methyl-2-(methylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115222243
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 115208250
5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
CID 115138116

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one (CID 115200017) is 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one is CC(C)(CN)CN1C(=O)Cc2cc(CN)ccc21.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one?
The InChIKey is DLCYPBZNVMQHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,8-16)9-17-12-4-3-10(7-15)5-11(12)6-13(17)18/h3-5H,6-9,15-16H2,1-2H3.
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one?
1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-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 1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one is sourced from PubChem (CID 115200017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).