6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one

C16H26N2O — CID 62640255

IUPAC6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
SMILESCC(C)N(C)CCn1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C16H26N2O/c1-12(2)17(5)8-9-18-7-6-13-14(18)10-16(3,4)11-15(13)19/h6-7,12H,8-11H2,1-5H3
InChIKeyVRXPHZVHAAYVLH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.98
Rot. Bonds4

About 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one

6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one (PubChem CID 62640255) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
PubChem CID62640255
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
SMILESCC(C)N(C)CCn1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C16H26N2O/c1-12(2)17(5)8-9-18-7-6-13-14(18)10-16(3,4)11-15(13)19/h6-7,12H,8-11H2,1-5H3
InChIKeyVRXPHZVHAAYVLH-UHFFFAOYSA-N
XLogP2.98
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one (CID 62640255) is 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one is CC(C)N(C)CCn1ccc2c1CC(C)(C)CC2=O.
What is the InChIKey of 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one?
The InChIKey is VRXPHZVHAAYVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)17(5)8-9-18-7-6-13-14(18)10-16(3,4)11-15(13)19/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one?
6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one has a molecular weight of 262.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one is sourced from PubChem (CID 62640255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).