(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride

C12H17ClN2O2 — CID 45265587

IUPAC(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)Oc1cccc2c1C(N)CC2.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-14(2)12(15)16-10-5-3-4-8-6-7-9(13)11(8)10;/h3-5,9H,6-7,13H2,1-2H3;1H
InChIKeyOBNQBZFTXCEOFL-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.11
Rot. Bonds1

About (3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride

(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride (PubChem CID 45265587) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Name(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
PubChem CID45265587
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)Oc1cccc2c1C(N)CC2.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-14(2)12(15)16-10-5-3-4-8-6-7-9(13)11(8)10;/h3-5,9H,6-7,13H2,1-2H3;1H
InChIKeyOBNQBZFTXCEOFL-UHFFFAOYSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.11
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-4-yl) N,N-dimethylcarbamate;hydrochloride?
The IUPAC name of (3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride (CID 45265587) is (3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for (3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for (3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride is CN(C)C(=O)Oc1cccc2c1C(N)CC2.Cl.
What is the InChIKey of (3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride?
The InChIKey is OBNQBZFTXCEOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-14(2)12(15)16-10-5-3-4-8-6-7-9(13)11(8)10;/h3-5,9H,6-7,13H2,1-2H3;1H.
What are the key properties of (3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride?
(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 2.11, 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-4-yl) N,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 45265587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).