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

C4H14ClN3 — CID 23504002

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNCCN
InChIInChI=1S/C4H13N3.ClH/c5-1-3-7-4-2-6;/h7H,1-6H2;1H
InChIKeyPDAOFKBIOKDCPC-UHFFFAOYSA-N
MW139.63 g/mol
LogP-1.08
Rot. Bonds4

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

N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 23504002) has the molecular formula C4H14ClN3 and a molecular weight of 139.63 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride
PubChem CID23504002
Molecular FormulaC4H14ClN3
Molecular Weight139.63 g/mol
Exact Mass139.09
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNCCN
InChIInChI=1S/C4H13N3.ClH/c5-1-3-7-4-2-6;/h7H,1-6H2;1H
InChIKeyPDAOFKBIOKDCPC-UHFFFAOYSA-N
XLogP-1.08
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 5-1.08
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;hydrochloride?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride (CID 23504002) is N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride is Cl.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is PDAOFKBIOKDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.ClH/c5-1-3-7-4-2-6;/h7H,1-6H2;1H.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride?
N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of -1.08, 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;hydrochloride is sourced from PubChem (CID 23504002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).