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

C4H14BrN3 — CID 22364538

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide
SMILESBr.NCCNCCN
InChIInChI=1S/C4H13N3.BrH/c5-1-3-7-4-2-6;/h7H,1-6H2;1H
InChIKeyFXYXMFFBNUSDFW-UHFFFAOYSA-N
MW184.08 g/mol
LogP-0.93
Rot. Bonds4

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

N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide (PubChem CID 22364538) has the molecular formula C4H14BrN3 and a molecular weight of 184.08 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide
PubChem CID22364538
Molecular FormulaC4H14BrN3
Molecular Weight184.08 g/mol
Exact Mass183.04
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide
SMILESBr.NCCNCCN
InChIInChI=1S/C4H13N3.BrH/c5-1-3-7-4-2-6;/h7H,1-6H2;1H
InChIKeyFXYXMFFBNUSDFW-UHFFFAOYSA-N
XLogP-0.93
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 5-0.93
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;hydrobromide?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide (CID 22364538) is N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide is Br.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide?
The InChIKey is FXYXMFFBNUSDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.BrH/c5-1-3-7-4-2-6;/h7H,1-6H2;1H.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide?
N'-(2-aminoethyl)ethane-1,2-diamine;hydrobromide has a molecular weight of 184.08 g/mol, XLogP of -0.93, 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;hydrobromide is sourced from PubChem (CID 22364538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).