(3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane

C14H24FNO — CID 142910031

IUPAC(3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane
SMILESC=C/C=C\C=C(/CC)CC(=O)N(C)CC.CF
InChIInChI=1S/C13H21NO.CH3F/c1-5-8-9-10-12(6-2)11-13(15)14(4)7-3;1-2/h5,8-10H,1,6-7,11H2,2-4H3;1H3/b9-8-,12-10+;
InChIKeyOJKYJXIGYPEGKC-ZTEDHSSBSA-N
MW241.35 g/mol
LogP3.52
Rot. Bonds6

About (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane

(3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane (PubChem CID 142910031) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane.

Molecular Properties

Compound Name(3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane
PubChem CID142910031
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name(3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane
SMILESC=C/C=C\C=C(/CC)CC(=O)N(C)CC.CF
InChIInChI=1S/C13H21NO.CH3F/c1-5-8-9-10-12(6-2)11-13(15)14(4)7-3;1-2/h5,8-10H,1,6-7,11H2,2-4H3;1H3/b9-8-,12-10+;
InChIKeyOJKYJXIGYPEGKC-ZTEDHSSBSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methylbut-3-enamide
CID 23466641
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
ethane;N-ethyl-N-methylbut-3-enamide
CID 142224309
(3Z,5Z)-3-ethylocta-3,5,7-trienenitrile
CID 130257091
ethyl (2E)-nona-2,4,6,8-tetraenoate
CID 149162972
(2Z)-N'-ethenyl-N-ethyl-N-methylpenta-2,4-dienimidamide
CID 166999090
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 129043675
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
ethyl (4Z,6Z)-4-(bromomethyl)-3-oxonona-4,6,8-trienoate
CID 143441124
N-methyl-N-pent-4-enylpropanamide
CID 115640317

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane?
The IUPAC name of (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane (CID 142910031) is (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane.
What is the SMILES notation for (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane?
The canonical SMILES for (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane is C=C/C=C\C=C(/CC)CC(=O)N(C)CC.CF.
What is the InChIKey of (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane?
The InChIKey is OJKYJXIGYPEGKC-ZTEDHSSBSA-N. The full InChI is InChI=1S/C13H21NO.CH3F/c1-5-8-9-10-12(6-2)11-13(15)14(4)7-3;1-2/h5,8-10H,1,6-7,11H2,2-4H3;1H3/b9-8-,12-10+;.
What are the key properties of (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane?
(3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane has a molecular weight of 241.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,3-diethyl-N-methylocta-3,5,7-trienamide;fluoromethane is sourced from PubChem (CID 142910031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).