5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one

C14H21N3O2 — CID 81059680

IUPAC5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)OCCN(C)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H21N3O2/c1-9(2)19-5-4-17(3)13-8-12-10(6-11(13)15)7-14(18)16-12/h6,8-9H,4-5,7,15H2,1-3H3,(H,16,18)
InChIKeyKOAUNRHBKSLMIW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds5

About 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one

5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 81059680) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
PubChem CID81059680
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)OCCN(C)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H21N3O2/c1-9(2)19-5-4-17(3)13-8-12-10(6-11(13)15)7-14(18)16-12/h6,8-9H,4-5,7,15H2,1-3H3,(H,16,18)
InChIKeyKOAUNRHBKSLMIW-UHFFFAOYSA-N
XLogP1.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
CID 63694273
5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43587844
5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)-propan-2-ylamino]propanenitrile
CID 54998527
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 43588157
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-cyclopropylacetamide
CID 43577859
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
CID 81055148

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one (CID 81059680) is 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one is CC(C)OCCN(C)c1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is KOAUNRHBKSLMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)19-5-4-17(3)13-8-12-10(6-11(13)15)7-14(18)16-12/h6,8-9H,4-5,7,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one?
5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81059680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).