[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride

C14H21ClN2O2 — CID 11011533

IUPAC[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride
SMILESCCN(C)C(=O)Oc1ccc2c(c1)C([NH2+]C)CC2.[Cl-]
InChIInChI=1S/C14H20N2O2.ClH/c1-4-16(3)14(17)18-11-7-5-10-6-8-13(15-2)12(10)9-11;/h5,7,9,13,15H,4,6,8H2,1-3H3;1H
InChIKeyMTTYOPNTPQCISQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP-1.68
Rot. Bonds3

About [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride

[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride (PubChem CID 11011533) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride.

Molecular Properties

Compound Name[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride
PubChem CID11011533
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride
SMILESCCN(C)C(=O)Oc1ccc2c(c1)C([NH2+]C)CC2.[Cl-]
InChIInChI=1S/C14H20N2O2.ClH/c1-4-16(3)14(17)18-11-7-5-10-6-8-13(15-2)12(10)9-11;/h5,7,9,13,15H,4,6,8H2,1-3H3;1H
InChIKeyMTTYOPNTPQCISQ-UHFFFAOYSA-N
XLogP-1.68
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 68829372
[3-[(prop-2-ynylamino)methyl]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 143554102
[6-[hexyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]azanium chloride
CID 11045651
2,3-dihydroxybutanedioic acid;[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 73033832
2,3-dihydroxybutanedioic acid;[(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 11625965
[(3S,4S)-4-amino-3-methyl-3,4-dihydro-1H-isochromen-6-yl] N-ethyl-N-methylcarbamate
CID 134221260
tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 11810576
[(3E)-3-hydroxyimino-1,2-dihydroinden-5-yl] N-ethyl-N-methylcarbamate
CID 58988449
[(3S)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-butyl-N-methylcarbamate
CID 10980623
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-butyl-N-methylcarbamate;hydrochloride
CID 45265585
[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate
CID 143532702
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
CID 15908437

Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride?
The IUPAC name of [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride (CID 11011533) is [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride.
What is the SMILES notation for [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride?
The canonical SMILES for [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride is CCN(C)C(=O)Oc1ccc2c(c1)C([NH2+]C)CC2.[Cl-].
What is the InChIKey of [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride?
The InChIKey is MTTYOPNTPQCISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-4-16(3)14(17)18-11-7-5-10-6-8-13(15-2)12(10)9-11;/h5,7,9,13,15H,4,6,8H2,1-3H3;1H.
What are the key properties of [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride?
[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride has a molecular weight of 284.79 g/mol, XLogP of -1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride is sourced from PubChem (CID 11011533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).