N,N-diethyl-2-methylidenehexanamide

C11H21NO — CID 12525278

IUPACN,N-diethyl-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)N(CC)CC
InChIInChI=1S/C11H21NO/c1-5-8-9-10(4)11(13)12(6-2)7-3/h4-9H2,1-3H3
InChIKeyLUEMJQTWHOWHGR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds6

About N,N-diethyl-2-methylidenehexanamide

N,N-diethyl-2-methylidenehexanamide (PubChem CID 12525278) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N,N-diethyl-2-methylidenehexanamide.

Molecular Properties

Compound NameN,N-diethyl-2-methylidenehexanamide
PubChem CID12525278
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN,N-diethyl-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)N(CC)CC
InChIInChI=1S/C11H21NO/c1-5-8-9-10(4)11(13)12(6-2)7-3/h4-9H2,1-3H3
InChIKeyLUEMJQTWHOWHGR-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-methylidenepiperidin-2-one
CID 10486852
6-Heptenamide, N,N-diethyl-
CID 10726145
Octanamide, N,N-diethyl-2-methylene-
CID 12142598
N-butyl-2-methylidene-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide
CID 58454465
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)azepan-2-one
CID 11248405
1-Cyclohexyl-3-methylidene-4-propylazetidin-2-one
CID 12680775
(E)-2-butyl-N,N-dimethylhept-2-enamide
CID 101499816
3-Methylidene-1-pentan-3-ylpiperidin-2-one
CID 101737967
6-Methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one
CID 102384804
N,N-dimethyl octadecyl acrylamide
CID 175666478

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylidenehexanamide?
The IUPAC name of N,N-diethyl-2-methylidenehexanamide (CID 12525278) is N,N-diethyl-2-methylidenehexanamide.
What is the SMILES notation for N,N-diethyl-2-methylidenehexanamide?
The canonical SMILES for N,N-diethyl-2-methylidenehexanamide is C=C(CCCC)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylidenehexanamide?
The InChIKey is LUEMJQTWHOWHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-8-9-10(4)11(13)12(6-2)7-3/h4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-methylidenehexanamide?
N,N-diethyl-2-methylidenehexanamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylidenehexanamide is sourced from PubChem (CID 12525278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).