N,N'-dimethylethane-1,2-diamine;dihydrochloride

C4H14Cl2N2 — CID 13001181

IUPACN,N'-dimethylethane-1,2-diamine;dihydrochloride
SMILESCNCCNC.Cl.Cl
InChIInChI=1S/C4H12N2.2ClH/c1-5-3-4-6-2;;/h5-6H,3-4H2,1-2H3;2*1H
InChIKeyAOLGBGRMATZQJG-UHFFFAOYSA-N
MW161.08 g/mol
LogP0.27
Rot. Bonds3

About N,N'-dimethylethane-1,2-diamine;dihydrochloride

N,N'-dimethylethane-1,2-diamine;dihydrochloride (PubChem CID 13001181) has the molecular formula C4H14Cl2N2 and a molecular weight of 161.08 g/mol. Its IUPAC name is N,N'-dimethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-dimethylethane-1,2-diamine;dihydrochloride
PubChem CID13001181
Molecular FormulaC4H14Cl2N2
Molecular Weight161.08 g/mol
Exact Mass160.05
IUPAC NameN,N'-dimethylethane-1,2-diamine;dihydrochloride
SMILESCNCCNC.Cl.Cl
InChIInChI=1S/C4H12N2.2ClH/c1-5-3-4-6-2;;/h5-6H,3-4H2,1-2H3;2*1H
InChIKeyAOLGBGRMATZQJG-UHFFFAOYSA-N
XLogP0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.08
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trientine Hydrochloride
CID 71433
N,N'-Dimethylethylenediamine
CID 8070
1,2-Ethanediamine, N1,N1,N2-trimethyl-
CID 67338
N-Methylethylenediamine
CID 8014
N-Ethylethylenediamine
CID 66071
N,N'-Diethylethylenediamine
CID 67105
2,5-Diazaheptane
CID 67104
(2-Aminoethyl)trimethylammonium chloride, hydrochloride
CID 16211104
1,2-Ethanediamine, N1-(2-aminoethyl)-, hydrochloride (1:3)
CID 19904564
N-(2-aminoethyl)-N'-methylethylenediamine
CID 118593
(SP-4-3)-Dichloro(N1,N1-dimethyl-1,2-ethanediamine-kappaN1,kappaN2)platinum
CID 3038570
(2-Aminoethyl)trimethyl chloride hydrochloride
CID 3083800

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-dimethylethane-1,2-diamine;dihydrochloride (CID 13001181) is N,N'-dimethylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-dimethylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-dimethylethane-1,2-diamine;dihydrochloride is CNCCNC.Cl.Cl.
What is the InChIKey of N,N'-dimethylethane-1,2-diamine;dihydrochloride?
The InChIKey is AOLGBGRMATZQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.2ClH/c1-5-3-4-6-2;;/h5-6H,3-4H2,1-2H3;2*1H.
What are the key properties of N,N'-dimethylethane-1,2-diamine;dihydrochloride?
N,N'-dimethylethane-1,2-diamine;dihydrochloride has a molecular weight of 161.08 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 13001181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).