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

C10H17FN2 — CID 90464549

IUPACN'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide
SMILESCC/C=C(C)/C(F)=C(C)\N=C(/C)N
InChIInChI=1S/C10H17FN2/c1-5-6-7(2)10(11)8(3)13-9(4)12/h6H,5H2,1-4H3,(H2,12,13)/b7-6+,10-8+
InChIKeyIWRJKFOZSKOYDF-LQPGMRSMSA-N
MW184.26 g/mol
LogP2.92
Rot. Bonds3

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

N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide (PubChem CID 90464549) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide
PubChem CID90464549
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC NameN'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide
SMILESCC/C=C(C)/C(F)=C(C)\N=C(/C)N
InChIInChI=1S/C10H17FN2/c1-5-6-7(2)10(11)8(3)13-9(4)12/h6H,5H2,1-4H3,(H2,12,13)/b7-6+,10-8+
InChIKeyIWRJKFOZSKOYDF-LQPGMRSMSA-N
XLogP2.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide (CID 90464549) is N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide is CC/C=C(C)/C(F)=C(C)\N=C(/C)N.
What is the InChIKey of N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide?
The InChIKey is IWRJKFOZSKOYDF-LQPGMRSMSA-N. The full InChI is InChI=1S/C10H17FN2/c1-5-6-7(2)10(11)8(3)13-9(4)12/h6H,5H2,1-4H3,(H2,12,13)/b7-6+,10-8+.
What are the key properties of N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide?
N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide has a molecular weight of 184.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 90464549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).