5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one

C15H23N3O — CID 115138117

IUPAC5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
SMILESCC(C)C(CN)NCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H23N3O/c1-10(2)13(8-16)17-9-11-4-5-14-12(6-11)7-15(19)18(14)3/h4-6,10,13,17H,7-9,16H2,1-3H3
InChIKeyDGGORKGJHLFLDZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.28
Rot. Bonds5

About 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one

5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one (PubChem CID 115138117) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
PubChem CID115138117
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
SMILESCC(C)C(CN)NCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H23N3O/c1-10(2)13(8-16)17-9-11-4-5-14-12(6-11)7-15(19)18(14)3/h4-6,10,13,17H,7-9,16H2,1-3H3
InChIKeyDGGORKGJHLFLDZ-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-aminopropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115196517
5-[(3-aminobutylamino)methyl]-1-methyl-3H-indol-2-one
CID 115199282
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
CID 115258520
5-[2-amino-1-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290175
5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115122100
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
CID 115121498
5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
CID 115226209

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one (CID 115138117) is 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one is CC(C)C(CN)NCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one?
The InChIKey is DGGORKGJHLFLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)13(8-16)17-9-11-4-5-14-12(6-11)7-15(19)18(14)3/h4-6,10,13,17H,7-9,16H2,1-3H3.
What are the key properties of 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one?
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115138117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).