4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide

C15H28N2O — CID 551851

IUPAC4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide
SMILESC=C(CC(=C)C(=O)N(CC)CC)CN(CC)CC
InChIInChI=1S/C15H28N2O/c1-7-16(8-2)12-13(5)11-14(6)15(18)17(9-3)10-4/h5-12H2,1-4H3
InChIKeyNNSKSHCJBPKXGA-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.70
Rot. Bonds9

About 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide

4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide (PubChem CID 551851) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide
PubChem CID551851
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide
SMILESC=C(CC(=C)C(=O)N(CC)CC)CN(CC)CC
InChIInChI=1S/C15H28N2O/c1-7-16(8-2)12-13(5)11-14(6)15(18)17(9-3)10-4/h5-12H2,1-4H3
InChIKeyNNSKSHCJBPKXGA-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-methylidenepiperidin-2-one
CID 10486852
1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide
CID 137350158
Octanamide, N,N-diethyl-2-methylene-
CID 12142598
Dimethylaminopropylacrylamide
CID 18359659
n,n-Dimethyl-aminopropylacrylamide
CID 54306059
Trimethylammoniopropylacryl-amide chloride
CID 87147235
N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide
CID 162547679
Propenamide, N,N,2-triethyl-
CID 587676
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
CID 11385532
3-Methylidene-1-pentan-3-ylpiperidin-2-one
CID 101737967
4-Pentenamide, N,N-diethyl-4-methyl-2-methylene-
CID 556830
Hexanediamide, N,N,N',N'-tetraethyl-2,5-bis(methylene)-
CID 587699

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide?
The IUPAC name of 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide (CID 551851) is 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide?
The canonical SMILES for 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide is C=C(CC(=C)C(=O)N(CC)CC)CN(CC)CC.
What is the InChIKey of 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide?
The InChIKey is NNSKSHCJBPKXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-16(8-2)12-13(5)11-14(6)15(18)17(9-3)10-4/h5-12H2,1-4H3.
What are the key properties of 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide?
4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide has a molecular weight of 252.40 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N,N-diethyl-2-methylidenepent-4-enamide is sourced from PubChem (CID 551851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).