(E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide

C8H15N3O — CID 143805663

IUPAC(E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C\N)C(=O)NC(C)(C)C
InChIInChI=1S/C8H15N3O/c1-8(2,3)11-7(12)6(4-9)5-10/h4-5,9H,10H2,1-3H3,(H,11,12)/b6-5+,9-4+
InChIKeyVFJNSRIPQHOPQG-BZNITXMSSA-N
MW169.23 g/mol
LogP0.39
Rot. Bonds2

About (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide

(E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide (PubChem CID 143805663) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide
PubChem CID143805663
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C\N)C(=O)NC(C)(C)C
InChIInChI=1S/C8H15N3O/c1-8(2,3)11-7(12)6(4-9)5-10/h4-5,9H,10H2,1-3H3,(H,11,12)/b6-5+,9-4+
InChIKeyVFJNSRIPQHOPQG-BZNITXMSSA-N
XLogP0.39
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.39
H-Bond Donors ≤ 53
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 (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide?
The IUPAC name of (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide (CID 143805663) is (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide.
What is the SMILES notation for (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide?
The canonical SMILES for (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide is [H]/N=C/C(=C\N)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide?
The InChIKey is VFJNSRIPQHOPQG-BZNITXMSSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)11-7(12)6(4-9)5-10/h4-5,9H,10H2,1-3H3,(H,11,12)/b6-5+,9-4+.
What are the key properties of (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide?
(E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide has a molecular weight of 169.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide is sourced from PubChem (CID 143805663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).