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

C6H18Cl2N2 — CID 53302047

IUPACN',N'-diethylethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCN.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-3-8(4-2)6-5-7;;/h3-7H2,1-2H3;2*1H
InChIKeyPWLGUYGCKDLZNE-UHFFFAOYSA-N
MW189.13 g/mol
LogP1.13
Rot. Bonds4

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

N',N'-diethylethane-1,2-diamine;dihydrochloride (PubChem CID 53302047) has the molecular formula C6H18Cl2N2 and a molecular weight of 189.13 g/mol. Its IUPAC name is N',N'-diethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-diethylethane-1,2-diamine;dihydrochloride
PubChem CID53302047
Molecular FormulaC6H18Cl2N2
Molecular Weight189.13 g/mol
Exact Mass188.08
IUPAC NameN',N'-diethylethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCN.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-3-8(4-2)6-5-7;;/h3-7H2,1-2H3;2*1H
InChIKeyPWLGUYGCKDLZNE-UHFFFAOYSA-N
XLogP1.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Trientine Hydrochloride
CID 71433
Triethylethylenediamine
CID 66040
N,N-Diethylethylenediamine
CID 60993
Tris(2-aminoethyl)amine
CID 77731
N,N-Dimethylethylenediamine
CID 66053
N-ethylbis(2-ethylaminoethyl)amine
CID 66931
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
CID 66034
1,4,7-Trimethyldiethylenetriamine
CID 66930
N,N'-Diethylethylenediamine
CID 67105
N'-(2-Diethylaminoethyl)ethane-1,2-diamine
CID 90497
1,1,7,7-Tetramethyldiethylenetriamine
CID 97514
1,2-Ethanediamine, N2-[2-(diethylamino)ethyl]-N1,N1-diethyl-
CID 67154

Frequently Asked Questions

What is the IUPAC name of N',N'-diethylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-diethylethane-1,2-diamine;dihydrochloride (CID 53302047) is N',N'-diethylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-diethylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-diethylethane-1,2-diamine;dihydrochloride is CCN(CC)CCN.Cl.Cl.
What is the InChIKey of N',N'-diethylethane-1,2-diamine;dihydrochloride?
The InChIKey is PWLGUYGCKDLZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2ClH/c1-3-8(4-2)6-5-7;;/h3-7H2,1-2H3;2*1H.
What are the key properties of N',N'-diethylethane-1,2-diamine;dihydrochloride?
N',N'-diethylethane-1,2-diamine;dihydrochloride has a molecular weight of 189.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 53302047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).