2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide

C13H19N3O — CID 113365165

IUPAC2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C1CC(N)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-15-13(17)8-16(2)12-7-11(14)9-5-3-4-6-10(9)12/h3-6,11-12H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyRZLVTPAFOLAHHQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.81
Rot. Bonds3

About 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide

2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide (PubChem CID 113365165) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide
PubChem CID113365165
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C1CC(N)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-15-13(17)8-16(2)12-7-11(14)9-5-3-4-6-10(9)12/h3-6,11-12H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyRZLVTPAFOLAHHQ-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide (CID 113365165) is 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)C1CC(N)c2ccccc21.
What is the InChIKey of 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide?
The InChIKey is RZLVTPAFOLAHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-13(17)8-16(2)12-7-11(14)9-5-3-4-6-10(9)12/h3-6,11-12H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide?
2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide has a molecular weight of 233.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 113365165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).