2-aminoethyl(2-azaniumylethyl)azanium

C4H15N3+2 — CID 139591977

IUPAC2-aminoethyl(2-azaniumylethyl)azanium
SMILESNCC[NH2+]CC[NH3+]
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+2
InChIKeyRPNUMPOLZDHAAY-UHFFFAOYSA-P
MW105.19 g/mol
LogP-3.25
Rot. Bonds4

About 2-aminoethyl(2-azaniumylethyl)azanium

2-aminoethyl(2-azaniumylethyl)azanium (PubChem CID 139591977) has the molecular formula C4H15N3+2 and a molecular weight of 105.19 g/mol. Its IUPAC name is 2-aminoethyl(2-azaniumylethyl)azanium.

Molecular Properties

Compound Name2-aminoethyl(2-azaniumylethyl)azanium
PubChem CID139591977
Molecular FormulaC4H15N3+2
Molecular Weight105.19 g/mol
Exact Mass105.13
IUPAC Name2-aminoethyl(2-azaniumylethyl)azanium
SMILESNCC[NH2+]CC[NH3+]
InChIInChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+2
InChIKeyRPNUMPOLZDHAAY-UHFFFAOYSA-P
XLogP-3.25
TPSA70.27 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.19
LogP ≤ 5-3.25
H-Bond Donors ≤ 53
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(2-azaniumylethyl)azanium?
The IUPAC name of 2-aminoethyl(2-azaniumylethyl)azanium (CID 139591977) is 2-aminoethyl(2-azaniumylethyl)azanium.
What is the SMILES notation for 2-aminoethyl(2-azaniumylethyl)azanium?
The canonical SMILES for 2-aminoethyl(2-azaniumylethyl)azanium is NCC[NH2+]CC[NH3+].
What is the InChIKey of 2-aminoethyl(2-azaniumylethyl)azanium?
The InChIKey is RPNUMPOLZDHAAY-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+2.
What are the key properties of 2-aminoethyl(2-azaniumylethyl)azanium?
2-aminoethyl(2-azaniumylethyl)azanium has a molecular weight of 105.19 g/mol, XLogP of -3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(2-azaniumylethyl)azanium is sourced from PubChem (CID 139591977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).