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

C6H20Cl2N4 — CID 138543829

IUPACN',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCN(CCN)CCN
InChIInChI=1S/C6H18N4.2ClH/c7-1-4-10(5-2-8)6-3-9;;/h1-9H2;2*1H
InChIKeyZEDMGDYUMWCHHT-UHFFFAOYSA-N
MW219.16 g/mol
LogP-0.99
Rot. Bonds6

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

N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 138543829) has the molecular formula C6H20Cl2N4 and a molecular weight of 219.16 g/mol. Its IUPAC name is N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID138543829
Molecular FormulaC6H20Cl2N4
Molecular Weight219.16 g/mol
Exact Mass218.11
IUPAC NameN',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCN(CCN)CCN
InChIInChI=1S/C6H18N4.2ClH/c7-1-4-10(5-2-8)6-3-9;;/h1-9H2;2*1H
InChIKeyZEDMGDYUMWCHHT-UHFFFAOYSA-N
XLogP-0.99
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride (CID 138543829) is N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCN(CCN)CCN.
What is the InChIKey of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is ZEDMGDYUMWCHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.2ClH/c7-1-4-10(5-2-8)6-3-9;;/h1-9H2;2*1H.
What are the key properties of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride?
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 219.16 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 138543829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).