N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide

C16H28N2O2 — CID 587699

IUPACN,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide
SMILESC=C(CCC(=C)C(=O)N(CC)CC)C(=O)N(CC)CC
InChIInChI=1S/C16H28N2O2/c1-7-17(8-2)15(19)13(5)11-12-14(6)16(20)18(9-3)10-4/h5-12H2,1-4H3
InChIKeyZJEQBYYUPPOTIX-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.62
Rot. Bonds9

About N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide

N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide (PubChem CID 587699) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide
PubChem CID587699
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide
SMILESC=C(CCC(=C)C(=O)N(CC)CC)C(=O)N(CC)CC
InChIInChI=1S/C16H28N2O2/c1-7-17(8-2)15(19)13(5)11-12-14(6)16(20)18(9-3)10-4/h5-12H2,1-4H3
InChIKeyZJEQBYYUPPOTIX-UHFFFAOYSA-N
XLogP2.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide?
The IUPAC name of N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide (CID 587699) is N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide.
What is the SMILES notation for N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide?
The canonical SMILES for N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide is C=C(CCC(=C)C(=O)N(CC)CC)C(=O)N(CC)CC.
What is the InChIKey of N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide?
The InChIKey is ZJEQBYYUPPOTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-17(8-2)15(19)13(5)11-12-14(6)16(20)18(9-3)10-4/h5-12H2,1-4H3.
What are the key properties of N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide?
N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide has a molecular weight of 280.41 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetraethyl-2,5-dimethylidenehexanediamide is sourced from PubChem (CID 587699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).