N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide

C12H22N4O2 — CID 88746677

IUPACN-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC/C=N/CCN.C=C(C)C(N)=O
InChIInChI=1S/C8H15N3O.C4H7NO/c1-7(2)8(12)11-6-5-10-4-3-9;1-3(2)4(5)6/h5H,1,3-4,6,9H2,2H3,(H,11,12);1H2,2H3,(H2,5,6)/b10-5+;
InChIKeyFMMQRVXXBGRZGW-OAZHBLANSA-N
MW254.33 g/mol
LogP-0.24
Rot. Bonds6

About N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide

N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide (PubChem CID 88746677) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
PubChem CID88746677
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC/C=N/CCN.C=C(C)C(N)=O
InChIInChI=1S/C8H15N3O.C4H7NO/c1-7(2)8(12)11-6-5-10-4-3-9;1-3(2)4(5)6/h5H,1,3-4,6,9H2,2H3,(H,11,12);1H2,2H3,(H2,5,6)/b10-5+;
InChIKeyFMMQRVXXBGRZGW-OAZHBLANSA-N
XLogP-0.24
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide?
The IUPAC name of N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide (CID 88746677) is N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide is C=C(C)C(=O)NC/C=N/CCN.C=C(C)C(N)=O.
What is the InChIKey of N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide?
The InChIKey is FMMQRVXXBGRZGW-OAZHBLANSA-N. The full InChI is InChI=1S/C8H15N3O.C4H7NO/c1-7(2)8(12)11-6-5-10-4-3-9;1-3(2)4(5)6/h5H,1,3-4,6,9H2,2H3,(H,11,12);1H2,2H3,(H2,5,6)/b10-5+;.
What are the key properties of N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide?
N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide has a molecular weight of 254.33 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide is sourced from PubChem (CID 88746677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).