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

C17H25N3O — CID 43614152

IUPAC6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)C3CCCCCC3)ccc21
InChIInChI=1S/C17H25N3O/c1-18-16-14-10-9-13(11-15(14)19-17(16)21)20(2)12-7-5-3-4-6-8-12/h9-12,16,18H,3-8H2,1-2H3,(H,19,21)
InChIKeyXITSFQPQFMGNAB-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.06
Rot. Bonds3

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

6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 43614152) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID43614152
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)C3CCCCCC3)ccc21
InChIInChI=1S/C17H25N3O/c1-18-16-14-10-9-13(11-15(14)19-17(16)21)20(2)12-7-5-3-4-6-8-12/h9-12,16,18H,3-8H2,1-2H3,(H,19,21)
InChIKeyXITSFQPQFMGNAB-UHFFFAOYSA-N
XLogP3.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 43586850
6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63632477
5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342494
6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63957228
6-(4,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 114341297
6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one
CID 102863499
3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
CID 62722436
3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 61449124
6-(3,4-dimethylcyclohexyl)oxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 64745755
6-[methyl(3-methylbutan-2-yl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586856
3-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-dihydroindol-2-one
CID 66394059
3-amino-6-[methyl(oxolan-3-yl)amino]-1,3-dihydroindol-2-one
CID 82739341

Frequently Asked Questions

What is the IUPAC name of 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (CID 43614152) is 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N(C)C3CCCCCC3)ccc21.
What is the InChIKey of 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is XITSFQPQFMGNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-16-14-10-9-13(11-15(14)19-17(16)21)20(2)12-7-5-3-4-6-8-12/h9-12,16,18H,3-8H2,1-2H3,(H,19,21).
What are the key properties of 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43614152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).