N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride

C5H16Cl2N2O — CID 86717903

IUPACN'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride
SMILESCOCCNCCN.Cl.Cl
InChIInChI=1S/C5H14N2O.2ClH/c1-8-5-4-7-3-2-6;;/h7H,2-6H2,1H3;2*1H
InChIKeyQXXJVXRQKBBJGM-UHFFFAOYSA-N
MW191.10 g/mol
LogP0.02
Rot. Bonds5

About N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride

N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 86717903) has the molecular formula C5H16Cl2N2O and a molecular weight of 191.10 g/mol. Its IUPAC name is N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID86717903
Molecular FormulaC5H16Cl2N2O
Molecular Weight191.10 g/mol
Exact Mass190.06
IUPAC NameN'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride
SMILESCOCCNCCN.Cl.Cl
InChIInChI=1S/C5H14N2O.2ClH/c1-8-5-4-7-3-2-6;;/h7H,2-6H2,1H3;2*1H
InChIKeyQXXJVXRQKBBJGM-UHFFFAOYSA-N
XLogP0.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride (CID 86717903) is N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride is COCCNCCN.Cl.Cl.
What is the InChIKey of N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is QXXJVXRQKBBJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O.2ClH/c1-8-5-4-7-3-2-6;;/h7H,2-6H2,1H3;2*1H.
What are the key properties of N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride?
N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 191.10 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 86717903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).