2-(2-aminoethylamino)ethylazanium

C4H14N3+ — CID 21063299

IUPAC2-(2-aminoethylamino)ethylazanium
SMILESNCCNCC[NH3+]
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+1
InChIKeyRPNUMPOLZDHAAY-UHFFFAOYSA-O
MW104.18 g/mol
LogP-2.22
Rot. Bonds4

About 2-(2-aminoethylamino)ethylazanium

2-(2-aminoethylamino)ethylazanium (PubChem CID 21063299) has the molecular formula C4H14N3+ and a molecular weight of 104.18 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethylazanium.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethylazanium
PubChem CID21063299
Molecular FormulaC4H14N3+
Molecular Weight104.18 g/mol
Exact Mass104.12
IUPAC Name2-(2-aminoethylamino)ethylazanium
SMILESNCCNCC[NH3+]
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+1
InChIKeyRPNUMPOLZDHAAY-UHFFFAOYSA-O
XLogP-2.22
TPSA65.69 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(2-aminoethylamino)ethylazanium?
The IUPAC name of 2-(2-aminoethylamino)ethylazanium (CID 21063299) is 2-(2-aminoethylamino)ethylazanium.
What is the SMILES notation for 2-(2-aminoethylamino)ethylazanium?
The canonical SMILES for 2-(2-aminoethylamino)ethylazanium is NCCNCC[NH3+].
What is the InChIKey of 2-(2-aminoethylamino)ethylazanium?
The InChIKey is RPNUMPOLZDHAAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+1.
What are the key properties of 2-(2-aminoethylamino)ethylazanium?
2-(2-aminoethylamino)ethylazanium has a molecular weight of 104.18 g/mol, XLogP of -2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethylazanium is sourced from PubChem (CID 21063299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).