3-amino-4,4-dimethylpent-2-enamide

C7H14N2O — CID 143267378

IUPAC3-amino-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C(N)=CC(N)=O
InChIInChI=1S/C7H14N2O/c1-7(2,3)5(8)4-6(9)10/h4H,8H2,1-3H3,(H2,9,10)
InChIKeyBRVIBNHURURKTL-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.36
Rot. Bonds1

About 3-amino-4,4-dimethylpent-2-enamide

3-amino-4,4-dimethylpent-2-enamide (PubChem CID 143267378) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-amino-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name3-amino-4,4-dimethylpent-2-enamide
PubChem CID143267378
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-amino-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C(N)=CC(N)=O
InChIInChI=1S/C7H14N2O/c1-7(2,3)5(8)4-6(9)10/h4H,8H2,1-3H3,(H2,9,10)
InChIKeyBRVIBNHURURKTL-UHFFFAOYSA-N
XLogP0.36
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethylpent-2-enamide?
The IUPAC name of 3-amino-4,4-dimethylpent-2-enamide (CID 143267378) is 3-amino-4,4-dimethylpent-2-enamide.
What is the SMILES notation for 3-amino-4,4-dimethylpent-2-enamide?
The canonical SMILES for 3-amino-4,4-dimethylpent-2-enamide is CC(C)(C)C(N)=CC(N)=O.
What is the InChIKey of 3-amino-4,4-dimethylpent-2-enamide?
The InChIKey is BRVIBNHURURKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2,3)5(8)4-6(9)10/h4H,8H2,1-3H3,(H2,9,10).
What are the key properties of 3-amino-4,4-dimethylpent-2-enamide?
3-amino-4,4-dimethylpent-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 143267378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).