N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide

C15H25FN2 — CID 145143723

IUPACN'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide
SMILESCC/C=C(C)/C(C(/F)=C\CCC)=C(C)\N=C(/C)N
InChIInChI=1S/C15H25FN2/c1-6-8-10-14(16)15(11(3)9-7-2)12(4)18-13(5)17/h9-10H,6-8H2,1-5H3,(H2,17,18)/b11-9+,14-10+,15-12+
InChIKeyGLGOAJASUXTXMG-CBFWXRABSA-N
MW252.38 g/mol
LogP4.65
Rot. Bonds6

About N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide

N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide (PubChem CID 145143723) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide
PubChem CID145143723
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide
SMILESCC/C=C(C)/C(C(/F)=C\CCC)=C(C)\N=C(/C)N
InChIInChI=1S/C15H25FN2/c1-6-8-10-14(16)15(11(3)9-7-2)12(4)18-13(5)17/h9-10H,6-8H2,1-5H3,(H2,17,18)/b11-9+,14-10+,15-12+
InChIKeyGLGOAJASUXTXMG-CBFWXRABSA-N
XLogP4.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide
CID 90464549
N'-[(2E,4E)-4-ethyl-3-fluorohepta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
CID 121478504
N'-[(3E)-5-fluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]-2-methylprop-2-enimidamide
CID 164867167
N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
CID 164867572
N-[(2Z,4Z)-3-[(Z)-1-amino-2-methylbut-1-enyl]octa-2,4-dien-2-yl]ethanimidoyl fluoride
CID 177018888
N'-[(E)-hex-2-en-2-yl]ethanimidamide
CID 117998023
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
CID 130472311
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
CID 134444275
N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
CID 134444323
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
CID 135257456
N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
CID 138473649
N'-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]ethanimidamide
CID 138567465

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide (CID 145143723) is N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide is CC/C=C(C)/C(C(/F)=C\CCC)=C(C)\N=C(/C)N.
What is the InChIKey of N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide?
The InChIKey is GLGOAJASUXTXMG-CBFWXRABSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-8-10-14(16)15(11(3)9-7-2)12(4)18-13(5)17/h9-10H,6-8H2,1-5H3,(H2,17,18)/b11-9+,14-10+,15-12+.
What are the key properties of N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide?
N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide has a molecular weight of 252.38 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 145143723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).