(2-aminoethylamino) nitrite

C2H7N3O2 — CID 57242126

IUPAC(2-aminoethylamino) nitrite
SMILESNCCNON=O
InChIInChI=1S/C2H7N3O2/c3-1-2-4-7-5-6/h4H,1-3H2
InChIKeyXWPWUMGYMZCXEX-UHFFFAOYSA-N
MW105.10 g/mol
LogP-0.85
Rot. Bonds4

About (2-aminoethylamino) nitrite

(2-aminoethylamino) nitrite (PubChem CID 57242126) has the molecular formula C2H7N3O2 and a molecular weight of 105.10 g/mol. Its IUPAC name is (2-aminoethylamino) nitrite.

Molecular Properties

Compound Name(2-aminoethylamino) nitrite
PubChem CID57242126
Molecular FormulaC2H7N3O2
Molecular Weight105.10 g/mol
Exact Mass105.05
IUPAC Name(2-aminoethylamino) nitrite
SMILESNCCNON=O
InChIInChI=1S/C2H7N3O2/c3-1-2-4-7-5-6/h4H,1-3H2
InChIKeyXWPWUMGYMZCXEX-UHFFFAOYSA-N
XLogP-0.85
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.10
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-aminoethylamino) nitrite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-aminoethylamino) nitrite?
The IUPAC name of (2-aminoethylamino) nitrite (CID 57242126) is (2-aminoethylamino) nitrite.
What is the SMILES notation for (2-aminoethylamino) nitrite?
The canonical SMILES for (2-aminoethylamino) nitrite is NCCNON=O.
What is the InChIKey of (2-aminoethylamino) nitrite?
The InChIKey is XWPWUMGYMZCXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O2/c3-1-2-4-7-5-6/h4H,1-3H2.
What are the key properties of (2-aminoethylamino) nitrite?
(2-aminoethylamino) nitrite has a molecular weight of 105.10 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino) nitrite is sourced from PubChem (CID 57242126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).