6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide

C25H50N6O3 — CID 173096321

IUPAC6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide
SMILESC=C(CCCN(C)C)C(N)=O.CC(=CCCCN(C)C)C(N)=O.CC(=CCCN(C)C)C(N)=O
InChIInChI=1S/C9H18N2O.2C8H16N2O/c1-8(9(10)12)6-4-5-7-11(2)3;2*1-7(8(9)11)5-4-6-10(2)3/h6H,4-5,7H2,1-3H3,(H2,10,12);5H,4,6H2,1-3H3,(H2,9,11);1,4-6H2,2-3H3,(H2,9,11)
InChIKeyUWWIREWSTOESGG-UHFFFAOYSA-N
MW482.71 g/mol
LogP1.50
Rot. Bonds14

About 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide

6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide (PubChem CID 173096321) has the molecular formula C25H50N6O3 and a molecular weight of 482.71 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide.

Molecular Properties

Compound Name6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide
PubChem CID173096321
Molecular FormulaC25H50N6O3
Molecular Weight482.71 g/mol
Exact Mass482.39
IUPAC Name6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide
SMILESC=C(CCCN(C)C)C(N)=O.CC(=CCCCN(C)C)C(N)=O.CC(=CCCN(C)C)C(N)=O
InChIInChI=1S/C9H18N2O.2C8H16N2O/c1-8(9(10)12)6-4-5-7-11(2)3;2*1-7(8(9)11)5-4-6-10(2)3/h6H,4-5,7H2,1-3H3,(H2,10,12);5H,4,6H2,1-3H3,(H2,9,11);1,4-6H2,2-3H3,(H2,9,11)
InChIKeyUWWIREWSTOESGG-UHFFFAOYSA-N
XLogP1.50
TPSA138.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.71
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide with MolForge

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Related Compounds

5-(dimethylamino)-2-methylidenepentanamide
CID 18359659
5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
CID 141073365
16-(dimethylamino)-2-methylidenehexadecanamide
CID 23169563
6-(dimethylamino)-2-methylhex-2-enamide;2-ethenyl-1H-imidazole
CID 67763538
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
chloromethylbenzene;6-(dimethylamino)-2-methylhex-2-enamide
CID 162054583
4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
CID 87438764
5-(dimethylamino)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 161495453
6-amino-2-methylhex-2-enamide
CID 54113800
N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide
CID 173350246
6-(dimethylamino)-2-methylhex-2-enoic acid;3-(dimethylamino)propyl 2-methylprop-2-enoate
CID 158407090

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide?
The IUPAC name of 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide (CID 173096321) is 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide.
What is the SMILES notation for 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide?
The canonical SMILES for 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide is C=C(CCCN(C)C)C(N)=O.CC(=CCCCN(C)C)C(N)=O.CC(=CCCN(C)C)C(N)=O.
What is the InChIKey of 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide?
The InChIKey is UWWIREWSTOESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2C8H16N2O/c1-8(9(10)12)6-4-5-7-11(2)3;2*1-7(8(9)11)5-4-6-10(2)3/h6H,4-5,7H2,1-3H3,(H2,10,12);5H,4,6H2,1-3H3,(H2,9,11);1,4-6H2,2-3H3,(H2,9,11).
What are the key properties of 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide?
6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide has a molecular weight of 482.71 g/mol, XLogP of 1.50, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide is sourced from PubChem (CID 173096321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).