2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide

C13H25NO — CID 21366384

IUPAC2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
SMILESC=CCC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C13H25NO/c1-7-8-11(9-13(4,5)6)12(15)14-10(2)3/h7,10-11H,1,8-9H2,2-6H3,(H,14,15)
InChIKeyGFKONVLCTHRHEJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.14
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide

2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide (PubChem CID 21366384) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
PubChem CID21366384
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
SMILESC=CCC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C13H25NO/c1-7-8-11(9-13(4,5)6)12(15)14-10(2)3/h7,10-11H,1,8-9H2,2-6H3,(H,14,15)
InChIKeyGFKONVLCTHRHEJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide (CID 21366384) is 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide is C=CCC(CC(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide?
The InChIKey is GFKONVLCTHRHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-8-11(9-13(4,5)6)12(15)14-10(2)3/h7,10-11H,1,8-9H2,2-6H3,(H,14,15).
What are the key properties of 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide?
2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 21366384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).