[(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate

C13H18N2O2 — CID 10923630

IUPAC[(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc2c(c1)[C@H](N)CC2
InChIInChI=1S/C13H18N2O2/c1-3-15(2)13(16)17-10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8,12H,3,5,7,14H2,1-2H3/t12-/m1/s1
InChIKeyHTSFGBRWMBRBLU-GFCCVEGCSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds2

About [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate

[(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate (PubChem CID 10923630) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
PubChem CID10923630
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc2c(c1)[C@H](N)CC2
InChIInChI=1S/C13H18N2O2/c1-3-15(2)13(16)17-10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8,12H,3,5,7,14H2,1-2H3/t12-/m1/s1
InChIKeyHTSFGBRWMBRBLU-GFCCVEGCSA-N
XLogP2.08
TPSA55.56 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate (CID 10923630) is [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1ccc2c(c1)[C@H](N)CC2.
What is the InChIKey of [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The InChIKey is HTSFGBRWMBRBLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-15(2)13(16)17-10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8,12H,3,5,7,14H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
[(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-amino-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 10923630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).