2-aminoethyl(ethyl)azanium

C4H13N2+ — CID 20609211

IUPAC2-aminoethyl(ethyl)azanium
SMILESCC[NH2+]CCN
InChIInChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+1
InChIKeySCZVXVGZMZRGRU-UHFFFAOYSA-O
MW89.16 g/mol
LogP-1.47
Rot. Bonds3

About 2-aminoethyl(ethyl)azanium

2-aminoethyl(ethyl)azanium (PubChem CID 20609211) has the molecular formula C4H13N2+ and a molecular weight of 89.16 g/mol. Its IUPAC name is 2-aminoethyl(ethyl)azanium.

Molecular Properties

Compound Name2-aminoethyl(ethyl)azanium
PubChem CID20609211
Molecular FormulaC4H13N2+
Molecular Weight89.16 g/mol
Exact Mass89.11
IUPAC Name2-aminoethyl(ethyl)azanium
SMILESCC[NH2+]CCN
InChIInChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+1
InChIKeySCZVXVGZMZRGRU-UHFFFAOYSA-O
XLogP-1.47
TPSA42.63 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-aminoethyl(ethyl)azanium?
The IUPAC name of 2-aminoethyl(ethyl)azanium (CID 20609211) is 2-aminoethyl(ethyl)azanium.
What is the SMILES notation for 2-aminoethyl(ethyl)azanium?
The canonical SMILES for 2-aminoethyl(ethyl)azanium is CC[NH2+]CCN.
What is the InChIKey of 2-aminoethyl(ethyl)azanium?
The InChIKey is SCZVXVGZMZRGRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+1.
What are the key properties of 2-aminoethyl(ethyl)azanium?
2-aminoethyl(ethyl)azanium has a molecular weight of 89.16 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(ethyl)azanium is sourced from PubChem (CID 20609211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).