(Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide

C12H20N2O — CID 145472610

IUPAC(Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide
SMILESC=C/C(=C\C=N\C)CCC(=O)N(C)CC
InChIInChI=1S/C12H20N2O/c1-5-11(9-10-13-3)7-8-12(15)14(4)6-2/h5,9-10H,1,6-8H2,2-4H3/b11-9+,13-10+
InChIKeyGDUZMUDUXOPASE-HOJJKJLFSA-N
MW208.31 g/mol
LogP2.06
Rot. Bonds6

About (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide

(Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide (PubChem CID 145472610) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide.

Molecular Properties

Compound Name(Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide
PubChem CID145472610
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide
SMILESC=C/C(=C\C=N\C)CCC(=O)N(C)CC
InChIInChI=1S/C12H20N2O/c1-5-11(9-10-13-3)7-8-12(15)14(4)6-2/h5,9-10H,1,6-8H2,2-4H3/b11-9+,13-10+
InChIKeyGDUZMUDUXOPASE-HOJJKJLFSA-N
XLogP2.06
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide?
The IUPAC name of (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide (CID 145472610) is (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide.
What is the SMILES notation for (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide?
The canonical SMILES for (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide is C=C/C(=C\C=N\C)CCC(=O)N(C)CC.
What is the InChIKey of (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide?
The InChIKey is GDUZMUDUXOPASE-HOJJKJLFSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-11(9-10-13-3)7-8-12(15)14(4)6-2/h5,9-10H,1,6-8H2,2-4H3/b11-9+,13-10+.
What are the key properties of (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide?
(Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide has a molecular weight of 208.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenyl-N-ethyl-N-methyl-6-methyliminohex-4-enamide is sourced from PubChem (CID 145472610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).