3-amino-N,N-diethyl-2-methylprop-2-enamide

C8H16N2O — CID 173332557

IUPAC3-amino-N,N-diethyl-2-methylprop-2-enamide
SMILESCCN(CC)C(=O)C(C)=CN
InChIInChI=1S/C8H16N2O/c1-4-10(5-2)8(11)7(3)6-9/h6H,4-5,9H2,1-3H3
InChIKeyHGUXDLUEVCIYFH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.72
Rot. Bonds3

About 3-amino-N,N-diethyl-2-methylprop-2-enamide

3-amino-N,N-diethyl-2-methylprop-2-enamide (PubChem CID 173332557) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-2-methylprop-2-enamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-2-methylprop-2-enamide
PubChem CID173332557
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-amino-N,N-diethyl-2-methylprop-2-enamide
SMILESCCN(CC)C(=O)C(C)=CN
InChIInChI=1S/C8H16N2O/c1-4-10(5-2)8(11)7(3)6-9/h6H,4-5,9H2,1-3H3
InChIKeyHGUXDLUEVCIYFH-UHFFFAOYSA-N
XLogP0.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
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-N,N-diethyl-2-methylprop-2-enamide?
The IUPAC name of 3-amino-N,N-diethyl-2-methylprop-2-enamide (CID 173332557) is 3-amino-N,N-diethyl-2-methylprop-2-enamide.
What is the SMILES notation for 3-amino-N,N-diethyl-2-methylprop-2-enamide?
The canonical SMILES for 3-amino-N,N-diethyl-2-methylprop-2-enamide is CCN(CC)C(=O)C(C)=CN.
What is the InChIKey of 3-amino-N,N-diethyl-2-methylprop-2-enamide?
The InChIKey is HGUXDLUEVCIYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-10(5-2)8(11)7(3)6-9/h6H,4-5,9H2,1-3H3.
What are the key properties of 3-amino-N,N-diethyl-2-methylprop-2-enamide?
3-amino-N,N-diethyl-2-methylprop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-2-methylprop-2-enamide is sourced from PubChem (CID 173332557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).