ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane

C14H28N2O — CID 153344253

IUPACethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane
SMILESC=C/C(=C\C=N\C)CNC(C)=O.CC.CCC
InChIInChI=1S/C9H14N2O.C3H8.C2H6/c1-4-9(5-6-10-3)7-11-8(2)12;1-3-2;1-2/h4-6H,1,7H2,2-3H3,(H,11,12);3H2,1-2H3;1-2H3/b9-5+,10-6+;;
InChIKeyGBJMTHUYHMGUOW-ODPWVAJHSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds4

About ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane

ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane (PubChem CID 153344253) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane.

Molecular Properties

Compound Nameethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane
PubChem CID153344253
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane
SMILESC=C/C(=C\C=N\C)CNC(C)=O.CC.CCC
InChIInChI=1S/C9H14N2O.C3H8.C2H6/c1-4-9(5-6-10-3)7-11-8(2)12;1-3-2;1-2/h4-6H,1,7H2,2-3H3,(H,11,12);3H2,1-2H3;1-2H3/b9-5+,10-6+;;
InChIKeyGBJMTHUYHMGUOW-ODPWVAJHSA-N
XLogP3.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
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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Related Compounds

N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide
CID 118373885
N-[3-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]propyl]prop-2-enamide
CID 118567457
N-[2-(methyliminomethyl)but-2-enyl]acetamide
CID 123446401
N-[3-[[(2Z)-penta-2,4-dienylidene]amino]propyl]prop-2-enamide
CID 124135369
N-(2,3-dihydropyridin-4-ylmethyl)acetamide
CID 138478321
N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide
CID 139505612
N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide
CID 139505979
N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane
CID 142022142
N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
CID 143514853
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
CID 143996237
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide;molecular hydrogen
CID 144099074
N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
CID 144540768

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane?
The IUPAC name of ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane (CID 153344253) is ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane.
What is the SMILES notation for ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane?
The canonical SMILES for ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane is C=C/C(=C\C=N\C)CNC(C)=O.CC.CCC.
What is the InChIKey of ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane?
The InChIKey is GBJMTHUYHMGUOW-ODPWVAJHSA-N. The full InChI is InChI=1S/C9H14N2O.C3H8.C2H6/c1-4-9(5-6-10-3)7-11-8(2)12;1-3-2;1-2/h4-6H,1,7H2,2-3H3,(H,11,12);3H2,1-2H3;1-2H3/b9-5+,10-6+;;.
What are the key properties of ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane?
ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane has a molecular weight of 240.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane is sourced from PubChem (CID 153344253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).