(3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate

C12H16N2O2 — CID 10934114

IUPAC(3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(c1)C(N)CC2
InChIInChI=1S/C12H16N2O2/c1-14(2)12(15)16-9-5-3-8-4-6-11(13)10(8)7-9/h3,5,7,11H,4,6,13H2,1-2H3
InChIKeyQZQSLQIZEWMPQS-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.69
Rot. Bonds1

About (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate

(3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate (PubChem CID 10934114) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate
PubChem CID10934114
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(c1)C(N)CC2
InChIInChI=1S/C12H16N2O2/c1-14(2)12(15)16-9-5-3-8-4-6-11(13)10(8)7-9/h3,5,7,11H,4,6,13H2,1-2H3
InChIKeyQZQSLQIZEWMPQS-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate?
The IUPAC name of (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate (CID 10934114) is (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate?
The canonical SMILES for (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2c(c1)C(N)CC2.
What is the InChIKey of (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate?
The InChIKey is QZQSLQIZEWMPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(2)12(15)16-9-5-3-8-4-6-11(13)10(8)7-9/h3,5,7,11H,4,6,13H2,1-2H3.
What are the key properties of (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate?
(3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate has a molecular weight of 220.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,3-dihydro-1H-inden-5-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 10934114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).