2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one

C15H22N2O — CID 20679411

IUPAC2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one
SMILESCC(N(C)C)N(C)C1(C)Cc2ccccc2C1=O
InChIInChI=1S/C15H22N2O/c1-11(16(3)4)17(5)15(2)10-12-8-6-7-9-13(12)14(15)18/h6-9,11H,10H2,1-5H3
InChIKeyAMRUFFVCRWGUFF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.02
Rot. Bonds3

About 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one

2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one (PubChem CID 20679411) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one
PubChem CID20679411
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one
SMILESCC(N(C)C)N(C)C1(C)Cc2ccccc2C1=O
InChIInChI=1S/C15H22N2O/c1-11(16(3)4)17(5)15(2)10-12-8-6-7-9-13(12)14(15)18/h6-9,11H,10H2,1-5H3
InChIKeyAMRUFFVCRWGUFF-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
CID 141404738
(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
CID 102246786
2,2-diethoxy-3H-inden-1-one
CID 11557601
2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
methyl 3-oxo-2-propan-2-yl-1H-indene-2-carboxylate
CID 13461881
2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
CID 122218044
methyl 2-methoxy-3-oxo-1H-indene-2-carboxylate
CID 102173835
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
(2S)-2-azido-2-[(1R)-1-hydroxyethyl]-3H-inden-1-one
CID 10353290

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one?
The IUPAC name of 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one (CID 20679411) is 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one is CC(N(C)C)N(C)C1(C)Cc2ccccc2C1=O.
What is the InChIKey of 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one?
The InChIKey is AMRUFFVCRWGUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(16(3)4)17(5)15(2)10-12-8-6-7-9-13(12)14(15)18/h6-9,11H,10H2,1-5H3.
What are the key properties of 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one?
2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one is sourced from PubChem (CID 20679411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).