1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide

C15H28N2O3 — CID 174925425

IUPAC1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide
SMILESC=C(C)C(=O)OC(C)N(C)C.CCCC=C(C)C(N)=O
InChIInChI=1S/C8H15NO2.C7H13NO/c1-6(2)8(10)11-7(3)9(4)5;1-3-4-5-6(2)7(8)9/h7H,1H2,2-5H3;5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyKANDRCFHLNRDEN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.23
Rot. Bonds6

About 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide

1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide (PubChem CID 174925425) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide
PubChem CID174925425
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide
SMILESC=C(C)C(=O)OC(C)N(C)C.CCCC=C(C)C(N)=O
InChIInChI=1S/C8H15NO2.C7H13NO/c1-6(2)8(10)11-7(3)9(4)5;1-3-4-5-6(2)7(8)9/h7H,1H2,2-5H3;5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyKANDRCFHLNRDEN-UHFFFAOYSA-N
XLogP2.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
2-methylhex-2-enamide;hydrochloride
CID 141109029
[(E)-7-amino-6-methyl-7-oxohept-5-en-3-yl] 2-methylprop-2-enoate
CID 172526451
2-methylhex-2-enamide;propan-1-amine
CID 174435970
1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine
CID 174596422
1-oxopropan-2-yl 2-methylhex-2-enoate
CID 175307016
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
carbamoyl 2-methylhex-2-eneperoxoate
CID 173307552
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
1-(dimethylamino)ethyl 4-hydroxy-2-methylhex-2-enoate;hydrochloride
CID 173070429
2-methyl-6-(2-methylprop-2-enoyloxy)hept-2-enoic acid
CID 174542655
2-methylhept-2-enamide;hydrate
CID 172812574

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide?
The IUPAC name of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide (CID 174925425) is 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide.
What is the SMILES notation for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide?
The canonical SMILES for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide is C=C(C)C(=O)OC(C)N(C)C.CCCC=C(C)C(N)=O.
What is the InChIKey of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide?
The InChIKey is KANDRCFHLNRDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C7H13NO/c1-6(2)8(10)11-7(3)9(4)5;1-3-4-5-6(2)7(8)9/h7H,1H2,2-5H3;5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide?
1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide has a molecular weight of 284.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide is sourced from PubChem (CID 174925425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).