2-nitroethanamine

C2H6N2O2 — CID 11378445

IUPAC2-nitroethanamine
SMILESNCC[N+](=O)[O-]
InChIInChI=1S/C2H6N2O2/c3-1-2-4(5)6/h1-3H2
InChIKeyVZUKEVFHSPMCSH-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.78
Rot. Bonds2

About 2-nitroethanamine

2-nitroethanamine (PubChem CID 11378445) has the molecular formula C2H6N2O2 and a molecular weight of 90.08 g/mol. Its IUPAC name is 2-nitroethanamine.

Molecular Properties

Compound Name2-nitroethanamine
PubChem CID11378445
Molecular FormulaC2H6N2O2
Molecular Weight90.08 g/mol
Exact Mass90.04
IUPAC Name2-nitroethanamine
SMILESNCC[N+](=O)[O-]
InChIInChI=1S/C2H6N2O2/c3-1-2-4(5)6/h1-3H2
InChIKeyVZUKEVFHSPMCSH-UHFFFAOYSA-N
XLogP-0.78
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-nitroethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3-Nitro-1-propylamine
CID 127889
N-fluoro-N-nitroethylamine
CID 129811386
2,2-Dinitroethane-1,1-diamine
CID 10130041
2,2-Dinitroethan-1-amine
CID 15180700
Nitroxy ethylamine
CID 54386330
Trinitroethylamine
CID 88843803
Dihydroglyoxime
CID 129831359
1-Fluoro-2,2-dinitroethanamine
CID 20481524
N-(2-nitroethyl)hydroxylamine
CID 10441659
1,1-Dinitroethane-1,2-diamine
CID 17939508
N-methoxy-2-nitroethanamine
CID 19042138
Ethylamino nitrite
CID 22320949

Frequently Asked Questions

What is the IUPAC name of 2-nitroethanamine?
The IUPAC name of 2-nitroethanamine (CID 11378445) is 2-nitroethanamine.
What is the SMILES notation for 2-nitroethanamine?
The canonical SMILES for 2-nitroethanamine is NCC[N+](=O)[O-].
What is the InChIKey of 2-nitroethanamine?
The InChIKey is VZUKEVFHSPMCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2/c3-1-2-4(5)6/h1-3H2.
What are the key properties of 2-nitroethanamine?
2-nitroethanamine has a molecular weight of 90.08 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroethanamine is sourced from PubChem (CID 11378445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).