[3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate

C13H18N2O2 — CID 11021981

IUPAC[3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate
SMILESCNC1CCc2cccc(OC(=O)N(C)C)c21
InChIInChI=1S/C13H18N2O2/c1-14-10-8-7-9-5-4-6-11(12(9)10)17-13(16)15(2)3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyVRYWLUPKBUBPFK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.95
Rot. Bonds2

About [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate

[3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate (PubChem CID 11021981) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate
PubChem CID11021981
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate
SMILESCNC1CCc2cccc(OC(=O)N(C)C)c21
InChIInChI=1S/C13H18N2O2/c1-14-10-8-7-9-5-4-6-11(12(9)10)17-13(16)15(2)3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyVRYWLUPKBUBPFK-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate (CID 11021981) is [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate is CNC1CCc2cccc(OC(=O)N(C)C)c21.
What is the InChIKey of [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate?
The InChIKey is VRYWLUPKBUBPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-10-8-7-9-5-4-6-11(12(9)10)17-13(16)15(2)3/h4-6,10,14H,7-8H2,1-3H3.
What are the key properties of [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate?
[3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 11021981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).