ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride

C5H17Cl2N3O — CID 161353127

IUPACethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride
SMILESCC[NH3+].CNC(=O)C[NH3+].[Cl-].[Cl-]
InChIInChI=1S/C3H8N2O.C2H7N.2ClH/c1-5-3(6)2-4;1-2-3;;/h2,4H2,1H3,(H,5,6);2-3H2,1H3;2*1H
InChIKeyPTWHODWRJWCIOM-UHFFFAOYSA-N
MW206.12 g/mol
LogP-8.77
Rot. Bonds1

About ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride

ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride (PubChem CID 161353127) has the molecular formula C5H17Cl2N3O and a molecular weight of 206.12 g/mol. Its IUPAC name is ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride.

Molecular Properties

Compound Nameethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride
PubChem CID161353127
Molecular FormulaC5H17Cl2N3O
Molecular Weight206.12 g/mol
Exact Mass205.07
IUPAC Nameethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride
SMILESCC[NH3+].CNC(=O)C[NH3+].[Cl-].[Cl-]
InChIInChI=1S/C3H8N2O.C2H7N.2ClH/c1-5-3(6)2-4;1-2-3;;/h2,4H2,1H3,(H,5,6);2-3H2,1H3;2*1H
InChIKeyPTWHODWRJWCIOM-UHFFFAOYSA-N
XLogP-8.77
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 5-8.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride?
The IUPAC name of ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride (CID 161353127) is ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride.
What is the SMILES notation for ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride?
The canonical SMILES for ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride is CC[NH3+].CNC(=O)C[NH3+].[Cl-].[Cl-].
What is the InChIKey of ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride?
The InChIKey is PTWHODWRJWCIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.C2H7N.2ClH/c1-5-3(6)2-4;1-2-3;;/h2,4H2,1H3,(H,5,6);2-3H2,1H3;2*1H.
What are the key properties of ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride?
ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride has a molecular weight of 206.12 g/mol, XLogP of -8.77, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride is sourced from PubChem (CID 161353127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).