2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide

C15H26N2O — CID 141256593

IUPAC2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide
SMILESCCCC=CC=CCN(C)CCC=C(C)C(N)=O
InChIInChI=1S/C15H26N2O/c1-4-5-6-7-8-9-12-17(3)13-10-11-14(2)15(16)18/h6-9,11H,4-5,10,12-13H2,1-3H3,(H2,16,18)
InChIKeyXIYPRIUDZLTKOT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.65
Rot. Bonds9

About 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide

2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide (PubChem CID 141256593) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide.

Molecular Properties

Compound Name2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide
PubChem CID141256593
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide
SMILESCCCC=CC=CCN(C)CCC=C(C)C(N)=O
InChIInChI=1S/C15H26N2O/c1-4-5-6-7-8-9-12-17(3)13-10-11-14(2)15(16)18/h6-9,11H,4-5,10,12-13H2,1-3H3,(H2,16,18)
InChIKeyXIYPRIUDZLTKOT-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methylhex-2-enamide;hydrochloride
CID 141109029
5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
CID 141073365
2-methylhex-2-enamide;propan-1-amine
CID 174435970
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
2-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
CID 169003273
2-methyldeca-2,4,6-trienoic acid
CID 54490128
(3E)-nona-3,5-dien-2-one
CID 131243861
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide?
The IUPAC name of 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide (CID 141256593) is 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide.
What is the SMILES notation for 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide?
The canonical SMILES for 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide is CCCC=CC=CCN(C)CCC=C(C)C(N)=O.
What is the InChIKey of 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide?
The InChIKey is XIYPRIUDZLTKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-6-7-8-9-12-17(3)13-10-11-14(2)15(16)18/h6-9,11H,4-5,10,12-13H2,1-3H3,(H2,16,18).
What are the key properties of 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide?
2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide has a molecular weight of 250.39 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide is sourced from PubChem (CID 141256593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).