(3E,6E)-N,N-diethylocta-3,6-dienamide

C12H21NO — CID 10262074

IUPAC(3E,6E)-N,N-diethylocta-3,6-dienamide
SMILESC/C=C/C/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C12H21NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4,7,9-10H,5-6,8,11H2,1-3H3/b7-4+,10-9+
InChIKeyZFWKRBVWXARPKZ-OXSFDCBASA-N
MW195.31 g/mol
LogP2.77
Rot. Bonds6

About (3E,6E)-N,N-diethylocta-3,6-dienamide

(3E,6E)-N,N-diethylocta-3,6-dienamide (PubChem CID 10262074) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3E,6E)-N,N-diethylocta-3,6-dienamide.

Molecular Properties

Compound Name(3E,6E)-N,N-diethylocta-3,6-dienamide
PubChem CID10262074
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3E,6E)-N,N-diethylocta-3,6-dienamide
SMILESC/C=C/C/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C12H21NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4,7,9-10H,5-6,8,11H2,1-3H3/b7-4+,10-9+
InChIKeyZFWKRBVWXARPKZ-OXSFDCBASA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenamide, N,N-diethyl-
CID 547369
N,N-Dibutylbut-3-enamide
CID 15984652
1-Butyryl-1,2,3,6-tetrahydropyridine
CID 579185
1-(3,6-Dihydropyridin-1(2h)-yl)ethanone
CID 279717
1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 3980505
N,N-Diethylbut-3-enamide
CID 12545744
(E)-N,N-diethyl-5-methyloct-3-enamide
CID 13183973
Pentenoic acid diethylamide
CID 53924574
2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide
CID 145333571
(E)-N-(3-fluoropropyl)-N-[(Z)-hex-3-enyl]but-2-enamide
CID 173699286
(3E)-N,N-Diethyl-3-pentenamide
CID 5369259
N-[(E)-hex-4-enyl]-N-prop-1-ynylpent-4-enamide
CID 11218269

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-N,N-diethylocta-3,6-dienamide?
The IUPAC name of (3E,6E)-N,N-diethylocta-3,6-dienamide (CID 10262074) is (3E,6E)-N,N-diethylocta-3,6-dienamide.
What is the SMILES notation for (3E,6E)-N,N-diethylocta-3,6-dienamide?
The canonical SMILES for (3E,6E)-N,N-diethylocta-3,6-dienamide is C/C=C/C/C=C/CC(=O)N(CC)CC.
What is the InChIKey of (3E,6E)-N,N-diethylocta-3,6-dienamide?
The InChIKey is ZFWKRBVWXARPKZ-OXSFDCBASA-N. The full InChI is InChI=1S/C12H21NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4,7,9-10H,5-6,8,11H2,1-3H3/b7-4+,10-9+.
What are the key properties of (3E,6E)-N,N-diethylocta-3,6-dienamide?
(3E,6E)-N,N-diethylocta-3,6-dienamide has a molecular weight of 195.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-N,N-diethylocta-3,6-dienamide is sourced from PubChem (CID 10262074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).