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

C6H21Cl3N4 — CID 21115516

IUPACN',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCN(CCN)CCN
InChIInChI=1S/C6H18N4.3ClH/c7-1-4-10(5-2-8)6-3-9;;;/h1-9H2;3*1H
InChIKeyYDJHCWNHOKBMLS-UHFFFAOYSA-N
MW255.62 g/mol
LogP-0.57
Rot. Bonds6

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

N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride (PubChem CID 21115516) has the molecular formula C6H21Cl3N4 and a molecular weight of 255.62 g/mol. Its IUPAC name is N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride.

Molecular Properties

Compound NameN',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride
PubChem CID21115516
Molecular FormulaC6H21Cl3N4
Molecular Weight255.62 g/mol
Exact Mass254.08
IUPAC NameN',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCN(CCN)CCN
InChIInChI=1S/C6H18N4.3ClH/c7-1-4-10(5-2-8)6-3-9;;;/h1-9H2;3*1H
InChIKeyYDJHCWNHOKBMLS-UHFFFAOYSA-N
XLogP-0.57
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride?
The IUPAC name of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride (CID 21115516) is N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride.
What is the SMILES notation for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride?
The canonical SMILES for N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride is Cl.Cl.Cl.NCCN(CCN)CCN.
What is the InChIKey of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride?
The InChIKey is YDJHCWNHOKBMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.3ClH/c7-1-4-10(5-2-8)6-3-9;;;/h1-9H2;3*1H.
What are the key properties of N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride?
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;trihydrochloride has a molecular weight of 255.62 g/mol, XLogP of -0.57, 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;trihydrochloride is sourced from PubChem (CID 21115516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).