2-amino-4-methylimino-N-propan-2-ylbut-2-enamide

C8H15N3O — CID 157219921

IUPAC2-amino-4-methylimino-N-propan-2-ylbut-2-enamide
SMILESC/N=C/C=C(N)C(=O)NC(C)C
InChIInChI=1S/C8H15N3O/c1-6(2)11-8(12)7(9)4-5-10-3/h4-6H,9H2,1-3H3,(H,11,12)/b7-4?,10-5+
InChIKeyOXJMMJVOXIHLGG-OQKLOKLJSA-N
MW169.23 g/mol
LogP0.05
Rot. Bonds3

About 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide

2-amino-4-methylimino-N-propan-2-ylbut-2-enamide (PubChem CID 157219921) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name2-amino-4-methylimino-N-propan-2-ylbut-2-enamide
PubChem CID157219921
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-amino-4-methylimino-N-propan-2-ylbut-2-enamide
SMILESC/N=C/C=C(N)C(=O)NC(C)C
InChIInChI=1S/C8H15N3O/c1-6(2)11-8(12)7(9)4-5-10-3/h4-6H,9H2,1-3H3,(H,11,12)/b7-4?,10-5+
InChIKeyOXJMMJVOXIHLGG-OQKLOKLJSA-N
XLogP0.05
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide?
The IUPAC name of 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide (CID 157219921) is 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide?
The canonical SMILES for 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide is C/N=C/C=C(N)C(=O)NC(C)C.
What is the InChIKey of 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide?
The InChIKey is OXJMMJVOXIHLGG-OQKLOKLJSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)11-8(12)7(9)4-5-10-3/h4-6H,9H2,1-3H3,(H,11,12)/b7-4?,10-5+.
What are the key properties of 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide?
2-amino-4-methylimino-N-propan-2-ylbut-2-enamide has a molecular weight of 169.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylimino-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 157219921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).