3-amino-N-(ethyliminomethylidene)-3-methylbutanamide

C8H15N3O — CID 88743416

IUPAC3-amino-N-(ethyliminomethylidene)-3-methylbutanamide
SMILESCCN=C=NC(=O)CC(C)(C)N
InChIInChI=1S/C8H15N3O/c1-4-10-6-11-7(12)5-8(2,3)9/h4-5,9H2,1-3H3
InChIKeyOMODILRLENXHOG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.83
Rot. Bonds3

About 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide

3-amino-N-(ethyliminomethylidene)-3-methylbutanamide (PubChem CID 88743416) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(ethyliminomethylidene)-3-methylbutanamide
PubChem CID88743416
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-amino-N-(ethyliminomethylidene)-3-methylbutanamide
SMILESCCN=C=NC(=O)CC(C)(C)N
InChIInChI=1S/C8H15N3O/c1-4-10-6-11-7(12)5-8(2,3)9/h4-5,9H2,1-3H3
InChIKeyOMODILRLENXHOG-UHFFFAOYSA-N
XLogP0.83
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide (CID 88743416) is 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide is CCN=C=NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide?
The InChIKey is OMODILRLENXHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-10-6-11-7(12)5-8(2,3)9/h4-5,9H2,1-3H3.
What are the key properties of 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide?
3-amino-N-(ethyliminomethylidene)-3-methylbutanamide has a molecular weight of 169.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(ethyliminomethylidene)-3-methylbutanamide is sourced from PubChem (CID 88743416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).