bis(2-azaniumylethyl)azanium

C4H16N3+3 — CID 5232301

IUPACbis(2-azaniumylethyl)azanium
SMILES[NH3+]CC[NH2+]CC[NH3+]
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+3
InChIKeyRPNUMPOLZDHAAY-UHFFFAOYSA-Q
MW106.19 g/mol
LogP-3.97
Rot. Bonds4

About bis(2-azaniumylethyl)azanium

bis(2-azaniumylethyl)azanium (PubChem CID 5232301) has the molecular formula C4H16N3+3 and a molecular weight of 106.19 g/mol. Its IUPAC name is bis(2-azaniumylethyl)azanium.

Molecular Properties

Compound Namebis(2-azaniumylethyl)azanium
PubChem CID5232301
Molecular FormulaC4H16N3+3
Molecular Weight106.19 g/mol
Exact Mass106.13
IUPAC Namebis(2-azaniumylethyl)azanium
SMILES[NH3+]CC[NH2+]CC[NH3+]
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+3
InChIKeyRPNUMPOLZDHAAY-UHFFFAOYSA-Q
XLogP-3.97
TPSA71.89 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 5-3.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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 bis(2-azaniumylethyl)azanium?
The IUPAC name of bis(2-azaniumylethyl)azanium (CID 5232301) is bis(2-azaniumylethyl)azanium.
What is the SMILES notation for bis(2-azaniumylethyl)azanium?
The canonical SMILES for bis(2-azaniumylethyl)azanium is [NH3+]CC[NH2+]CC[NH3+].
What is the InChIKey of bis(2-azaniumylethyl)azanium?
The InChIKey is RPNUMPOLZDHAAY-UHFFFAOYSA-Q. The full InChI is InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+3.
What are the key properties of bis(2-azaniumylethyl)azanium?
bis(2-azaniumylethyl)azanium has a molecular weight of 106.19 g/mol, XLogP of -3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-azaniumylethyl)azanium is sourced from PubChem (CID 5232301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).