3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one

C14H19N3O — CID 62861507

IUPAC3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CC1CCC1)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C14H19N3O/c1-17(8-9-3-2-4-9)10-5-6-11-12(7-10)16-14(18)13(11)15/h5-7,9,13H,2-4,8,15H2,1H3,(H,16,18)
InChIKeyAQMNJEIBOWBNOI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one

3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 62861507) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID62861507
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CC1CCC1)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C14H19N3O/c1-17(8-9-3-2-4-9)10-5-6-11-12(7-10)16-14(18)13(11)15/h5-7,9,13H,2-4,8,15H2,1H3,(H,16,18)
InChIKeyAQMNJEIBOWBNOI-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
CID 107399204
6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63632477
3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 54999584
3-amino-6-[methyl(oxolan-3-yl)amino]-1,3-dihydroindol-2-one
CID 82739341
3-amino-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one
CID 43586847
3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
CID 107399221
3-amino-6-methyl-1,3-dihydroindol-2-one
CID 71306235
3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one
CID 63369833
5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79348594
3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one
CID 107480513
3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one
CID 103339183
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 43275525

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one (CID 62861507) is 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one is CN(CC1CCC1)c1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is AQMNJEIBOWBNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(8-9-3-2-4-9)10-5-6-11-12(7-10)16-14(18)13(11)15/h5-7,9,13H,2-4,8,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one?
3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62861507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).