(E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide

C11H22N2O — CID 163399698

IUPAC(E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide
SMILESCC/C(C)=C(\CNC)C(=O)NC(C)C
InChIInChI=1S/C11H22N2O/c1-6-9(4)10(7-12-5)11(14)13-8(2)3/h8,12H,6-7H2,1-5H3,(H,13,14)/b10-9+
InChIKeyBRTRAMZTIXWYJL-MDZDMXLPSA-N
MW198.31 g/mol
LogP1.46
Rot. Bonds5

About (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide

(E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide (PubChem CID 163399698) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide.

Molecular Properties

Compound Name(E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide
PubChem CID163399698
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide
SMILESCC/C(C)=C(\CNC)C(=O)NC(C)C
InChIInChI=1S/C11H22N2O/c1-6-9(4)10(7-12-5)11(14)13-8(2)3/h8,12H,6-7H2,1-5H3,(H,13,14)/b10-9+
InChIKeyBRTRAMZTIXWYJL-MDZDMXLPSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.46
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 (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide?
The IUPAC name of (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide (CID 163399698) is (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide.
What is the SMILES notation for (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide?
The canonical SMILES for (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide is CC/C(C)=C(\CNC)C(=O)NC(C)C.
What is the InChIKey of (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide?
The InChIKey is BRTRAMZTIXWYJL-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-9(4)10(7-12-5)11(14)13-8(2)3/h8,12H,6-7H2,1-5H3,(H,13,14)/b10-9+.
What are the key properties of (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide?
(E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-(methylaminomethyl)-N-propan-2-ylpent-2-enamide is sourced from PubChem (CID 163399698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).