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

C4H15Cl3N2 — CID 172819599

IUPACN',N'-dimethylethane-1,2-diamine;trihydrochloride
SMILESCN(C)CCN.Cl.Cl.Cl
InChIInChI=1S/C4H12N2.3ClH/c1-6(2)4-3-5;;;/h3-5H2,1-2H3;3*1H
InChIKeyUATZQJFMVKAYGG-UHFFFAOYSA-N
MW197.54 g/mol
LogP0.77
Rot. Bonds2

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

N',N'-dimethylethane-1,2-diamine;trihydrochloride (PubChem CID 172819599) has the molecular formula C4H15Cl3N2 and a molecular weight of 197.54 g/mol. Its IUPAC name is N',N'-dimethylethane-1,2-diamine;trihydrochloride.

Molecular Properties

Compound NameN',N'-dimethylethane-1,2-diamine;trihydrochloride
PubChem CID172819599
Molecular FormulaC4H15Cl3N2
Molecular Weight197.54 g/mol
Exact Mass196.03
IUPAC NameN',N'-dimethylethane-1,2-diamine;trihydrochloride
SMILESCN(C)CCN.Cl.Cl.Cl
InChIInChI=1S/C4H12N2.3ClH/c1-6(2)4-3-5;;;/h3-5H2,1-2H3;3*1H
InChIKeyUATZQJFMVKAYGG-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.54
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylethane-1,2-diamine;trihydrochloride?
The IUPAC name of N',N'-dimethylethane-1,2-diamine;trihydrochloride (CID 172819599) is N',N'-dimethylethane-1,2-diamine;trihydrochloride.
What is the SMILES notation for N',N'-dimethylethane-1,2-diamine;trihydrochloride?
The canonical SMILES for N',N'-dimethylethane-1,2-diamine;trihydrochloride is CN(C)CCN.Cl.Cl.Cl.
What is the InChIKey of N',N'-dimethylethane-1,2-diamine;trihydrochloride?
The InChIKey is UATZQJFMVKAYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.3ClH/c1-6(2)4-3-5;;;/h3-5H2,1-2H3;3*1H.
What are the key properties of N',N'-dimethylethane-1,2-diamine;trihydrochloride?
N',N'-dimethylethane-1,2-diamine;trihydrochloride has a molecular weight of 197.54 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylethane-1,2-diamine;trihydrochloride is sourced from PubChem (CID 172819599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).