N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide

C10H20FN3 — CID 87954620

IUPACN'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C(F)=C\CCC(C)(C)N
InChIInChI=1S/C10H20FN3/c1-8(12)14-7-9(11)5-4-6-10(2,3)13/h5H,4,6-7,13H2,1-3H3,(H2,12,14)/b9-5+
InChIKeyGSEWDRRLKNQDNE-WEVVVXLNSA-N
MW201.29 g/mol
LogP1.73
Rot. Bonds5

About N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide

N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide (PubChem CID 87954620) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
PubChem CID87954620
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC NameN'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C(F)=C\CCC(C)(C)N
InChIInChI=1S/C10H20FN3/c1-8(12)14-7-9(11)5-4-6-10(2,3)13/h5H,4,6-7,13H2,1-3H3,(H2,12,14)/b9-5+
InChIKeyGSEWDRRLKNQDNE-WEVVVXLNSA-N
XLogP1.73
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide (CID 87954620) is N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide is C/C(N)=N\C/C(F)=C\CCC(C)(C)N.
What is the InChIKey of N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide?
The InChIKey is GSEWDRRLKNQDNE-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H20FN3/c1-8(12)14-7-9(11)5-4-6-10(2,3)13/h5H,4,6-7,13H2,1-3H3,(H2,12,14)/b9-5+.
What are the key properties of N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide?
N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide has a molecular weight of 201.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide is sourced from PubChem (CID 87954620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).