(E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide

C13H22N2O — CID 143846738

IUPAC(E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide
SMILESCC/C=C(\C=N\C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-7-11(10-14-2)13(16)15-12-8-5-4-6-9-12/h7,10,12H,3-6,8-9H2,1-2H3,(H,15,16)/b11-7+,14-10+
InChIKeyIKPLIRORWNEEOI-MYUCQOFCSA-N
MW222.33 g/mol
LogP2.47
Rot. Bonds4

About (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide

(E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide (PubChem CID 143846738) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide
PubChem CID143846738
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide
SMILESCC/C=C(\C=N\C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-7-11(10-14-2)13(16)15-12-8-5-4-6-9-12/h7,10,12H,3-6,8-9H2,1-2H3,(H,15,16)/b11-7+,14-10+
InChIKeyIKPLIRORWNEEOI-MYUCQOFCSA-N
XLogP2.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide (CID 143846738) is (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide is CC/C=C(\C=N\C)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide?
The InChIKey is IKPLIRORWNEEOI-MYUCQOFCSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-7-11(10-14-2)13(16)15-12-8-5-4-6-9-12/h7,10,12H,3-6,8-9H2,1-2H3,(H,15,16)/b11-7+,14-10+.
What are the key properties of (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide?
(E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide has a molecular weight of 222.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-2-(methyliminomethyl)pent-2-enamide is sourced from PubChem (CID 143846738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).