ethanamine;2-methylprop-2-enamide

C6H14N2O — CID 22606992

IUPACethanamine;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCN
InChIInChI=1S/C4H7NO.C2H7N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H2,5,6);2-3H2,1H3
InChIKeyKNDABZYDNPKSRR-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.01
Rot. Bonds1

About ethanamine;2-methylprop-2-enamide

ethanamine;2-methylprop-2-enamide (PubChem CID 22606992) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is ethanamine;2-methylprop-2-enamide.

Molecular Properties

Compound Nameethanamine;2-methylprop-2-enamide
PubChem CID22606992
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Nameethanamine;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCN
InChIInChI=1S/C4H7NO.C2H7N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H2,5,6);2-3H2,1H3
InChIKeyKNDABZYDNPKSRR-UHFFFAOYSA-N
XLogP0.01
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.01
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 ethanamine;2-methylprop-2-enamide?
The IUPAC name of ethanamine;2-methylprop-2-enamide (CID 22606992) is ethanamine;2-methylprop-2-enamide.
What is the SMILES notation for ethanamine;2-methylprop-2-enamide?
The canonical SMILES for ethanamine;2-methylprop-2-enamide is C=C(C)C(N)=O.CCN.
What is the InChIKey of ethanamine;2-methylprop-2-enamide?
The InChIKey is KNDABZYDNPKSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H7N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H2,5,6);2-3H2,1H3.
What are the key properties of ethanamine;2-methylprop-2-enamide?
ethanamine;2-methylprop-2-enamide has a molecular weight of 130.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;2-methylprop-2-enamide is sourced from PubChem (CID 22606992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).