N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide

C13H23FN2 — CID 143883695

IUPACN'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide
SMILESCC/C=C(C)/C(F)=C(CC)\N=C(/C)N(C)C
InChIInChI=1S/C13H23FN2/c1-7-9-10(3)13(14)12(8-2)15-11(4)16(5)6/h9H,7-8H2,1-6H3/b10-9+,13-12+,15-11+
InChIKeyQBQYRSSGEWDTEQ-PYHDRQRQSA-N
MW226.34 g/mol
LogP3.91
Rot. Bonds4

About N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide

N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide (PubChem CID 143883695) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide
PubChem CID143883695
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC NameN'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide
SMILESCC/C=C(C)/C(F)=C(CC)\N=C(/C)N(C)C
InChIInChI=1S/C13H23FN2/c1-7-9-10(3)13(14)12(8-2)15-11(4)16(5)6/h9H,7-8H2,1-6H3/b10-9+,13-12+,15-11+
InChIKeyQBQYRSSGEWDTEQ-PYHDRQRQSA-N
XLogP3.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
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'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
CID 170031327
lithium N,N,2,4-tetramethyl-3H-pyridin-3-id-6-amine
CID 134971132
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)ethanimidamide
CID 139818258

Frequently Asked Questions

What is the IUPAC name of N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide (CID 143883695) is N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide is CC/C=C(C)/C(F)=C(CC)\N=C(/C)N(C)C.
What is the InChIKey of N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide?
The InChIKey is QBQYRSSGEWDTEQ-PYHDRQRQSA-N. The full InChI is InChI=1S/C13H23FN2/c1-7-9-10(3)13(14)12(8-2)15-11(4)16(5)6/h9H,7-8H2,1-6H3/b10-9+,13-12+,15-11+.
What are the key properties of N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide?
N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide has a molecular weight of 226.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide is sourced from PubChem (CID 143883695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).