2-azaniumylethylazanium dichloride

C2H10Cl2N2 — CID 517069

IUPAC2-azaniumylethylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H
InChIKeyOHHBFEVZJLBKEH-UHFFFAOYSA-N
MW133.02 g/mol
LogP-8.52
Rot. Bonds1

About 2-azaniumylethylazanium dichloride

2-azaniumylethylazanium dichloride (PubChem CID 517069) has the molecular formula C2H10Cl2N2 and a molecular weight of 133.02 g/mol. Its IUPAC name is 2-azaniumylethylazanium dichloride.

Molecular Properties

Compound Name2-azaniumylethylazanium dichloride
PubChem CID517069
Molecular FormulaC2H10Cl2N2
Molecular Weight133.02 g/mol
Exact Mass132.02
IUPAC Name2-azaniumylethylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H
InChIKeyOHHBFEVZJLBKEH-UHFFFAOYSA-N
XLogP-8.52
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.02
LogP ≤ 5-8.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 3301
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Dichloro(ethylenediamine)platinum(II)
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1,2-Ethane-1,1,2,2-d4-diamine
CID 12200820
2-Aminoethylazanium
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Platinum (II), bromochloroethyleneiammine-, cis-
CID 3040477
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CID 16217366
Ethylene-d4-diamine dihydrochloride
CID 71309221
Ethane-1,2-(~15~N_2_)diamine--hydrogen chloride (1/2)
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2-Aminoethylazanium;chloride
CID 27300

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethylazanium dichloride?
The IUPAC name of 2-azaniumylethylazanium dichloride (CID 517069) is 2-azaniumylethylazanium dichloride.
What is the SMILES notation for 2-azaniumylethylazanium dichloride?
The canonical SMILES for 2-azaniumylethylazanium dichloride is [Cl-].[Cl-].[NH3+]CC[NH3+].
What is the InChIKey of 2-azaniumylethylazanium dichloride?
The InChIKey is OHHBFEVZJLBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H.
What are the key properties of 2-azaniumylethylazanium dichloride?
2-azaniumylethylazanium dichloride has a molecular weight of 133.02 g/mol, XLogP of -8.52, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethylazanium dichloride is sourced from PubChem (CID 517069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).