3-amino-3-ethyliminopropanamide

C5H11N3O — CID 22056426

IUPAC3-amino-3-ethyliminopropanamide
SMILESCC/N=C(\N)CC(N)=O
InChIInChI=1S/C5H11N3O/c1-2-8-4(6)3-5(7)9/h2-3H2,1H3,(H2,6,8)(H2,7,9)
InChIKeyFCQWAOFFNDMNNV-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.76
Rot. Bonds3

About 3-amino-3-ethyliminopropanamide

3-amino-3-ethyliminopropanamide (PubChem CID 22056426) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-3-ethyliminopropanamide.

Molecular Properties

Compound Name3-amino-3-ethyliminopropanamide
PubChem CID22056426
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name3-amino-3-ethyliminopropanamide
SMILESCC/N=C(\N)CC(N)=O
InChIInChI=1S/C5H11N3O/c1-2-8-4(6)3-5(7)9/h2-3H2,1H3,(H2,6,8)(H2,7,9)
InChIKeyFCQWAOFFNDMNNV-UHFFFAOYSA-N
XLogP-0.76
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyliminopropanamide?
The IUPAC name of 3-amino-3-ethyliminopropanamide (CID 22056426) is 3-amino-3-ethyliminopropanamide.
What is the SMILES notation for 3-amino-3-ethyliminopropanamide?
The canonical SMILES for 3-amino-3-ethyliminopropanamide is CC/N=C(\N)CC(N)=O.
What is the InChIKey of 3-amino-3-ethyliminopropanamide?
The InChIKey is FCQWAOFFNDMNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-2-8-4(6)3-5(7)9/h2-3H2,1H3,(H2,6,8)(H2,7,9).
What are the key properties of 3-amino-3-ethyliminopropanamide?
3-amino-3-ethyliminopropanamide has a molecular weight of 129.16 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyliminopropanamide is sourced from PubChem (CID 22056426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).