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

C4H16Cl3N3 — CID 19904564

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCNCCN
InChIInChI=1S/C4H13N3.3ClH/c5-1-3-7-4-2-6;;;/h7H,1-6H2;3*1H
InChIKeyRDIVLNOKDXZMJS-UHFFFAOYSA-N
MW212.55 g/mol
LogP-0.24
Rot. Bonds4

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

N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride (PubChem CID 19904564) has the molecular formula C4H16Cl3N3 and a molecular weight of 212.55 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride
PubChem CID19904564
Molecular FormulaC4H16Cl3N3
Molecular Weight212.55 g/mol
Exact Mass211.04
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCNCCN
InChIInChI=1S/C4H13N3.3ClH/c5-1-3-7-4-2-6;;;/h7H,1-6H2;3*1H
InChIKeyRDIVLNOKDXZMJS-UHFFFAOYSA-N
XLogP-0.24
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.55
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride (CID 19904564) is N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride is Cl.Cl.Cl.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride?
The InChIKey is RDIVLNOKDXZMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.3ClH/c5-1-3-7-4-2-6;;;/h7H,1-6H2;3*1H.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride?
N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride has a molecular weight of 212.55 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;trihydrochloride is sourced from PubChem (CID 19904564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).