butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene

C24H44FN — CID 143844335

IUPACbutane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene
SMILESC/C=C(CC)\C(F)=C/C.CCCC.CCCC.CNc1ccc(C)cc1
InChIInChI=1S/C8H13F.C8H11N.2C4H10/c1-4-7(5-2)8(9)6-3;1-7-3-5-8(9-2)6-4-7;2*1-3-4-2/h4,6H,5H2,1-3H3;3-6,9H,1-2H3;2*3-4H2,1-2H3/b7-4-,8-6+;;;
InChIKeyLDVZWPUEMOAMLO-NCJNTBRTSA-N
MW365.62 g/mol
LogP8.87
Rot. Bonds5

About butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene

butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene (PubChem CID 143844335) has the molecular formula C24H44FN and a molecular weight of 365.62 g/mol. Its IUPAC name is butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene.

Molecular Properties

Compound Namebutane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene
PubChem CID143844335
Molecular FormulaC24H44FN
Molecular Weight365.62 g/mol
Exact Mass365.35
IUPAC Namebutane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene
SMILESC/C=C(CC)\C(F)=C/C.CCCC.CCCC.CNc1ccc(C)cc1
InChIInChI=1S/C8H13F.C8H11N.2C4H10/c1-4-7(5-2)8(9)6-3;1-7-3-5-8(9-2)6-4-7;2*1-3-4-2/h4,6H,5H2,1-3H3;3-6,9H,1-2H3;2*3-4H2,1-2H3/b7-4-,8-6+;;;
InChIKeyLDVZWPUEMOAMLO-NCJNTBRTSA-N
XLogP8.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.62
LogP ≤ 58.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene?
The IUPAC name of butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene (CID 143844335) is butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene.
What is the SMILES notation for butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene?
The canonical SMILES for butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene is C/C=C(CC)\C(F)=C/C.CCCC.CCCC.CNc1ccc(C)cc1.
What is the InChIKey of butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene?
The InChIKey is LDVZWPUEMOAMLO-NCJNTBRTSA-N. The full InChI is InChI=1S/C8H13F.C8H11N.2C4H10/c1-4-7(5-2)8(9)6-3;1-7-3-5-8(9-2)6-4-7;2*1-3-4-2/h4,6H,5H2,1-3H3;3-6,9H,1-2H3;2*3-4H2,1-2H3/b7-4-,8-6+;;;.
What are the key properties of butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene?
butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene has a molecular weight of 365.62 g/mol, XLogP of 8.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene is sourced from PubChem (CID 143844335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).