N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide

C9H18FN3 — CID 87427491

IUPACN'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C(F)=C/CCC(C)N
InChIInChI=1S/C9H18FN3/c1-7(11)4-3-5-9(10)6-13-8(2)12/h5,7H,3-4,6,11H2,1-2H3,(H2,12,13)/b9-5-
InChIKeyLKXRKEXXUBOXSF-UITAMQMPSA-N
MW187.26 g/mol
LogP1.34
Rot. Bonds5

About N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide

N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide (PubChem CID 87427491) has the molecular formula C9H18FN3 and a molecular weight of 187.26 g/mol. Its IUPAC name is N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide
PubChem CID87427491
Molecular FormulaC9H18FN3
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC NameN'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C(F)=C/CCC(C)N
InChIInChI=1S/C9H18FN3/c1-7(11)4-3-5-9(10)6-13-8(2)12/h5,7H,3-4,6,11H2,1-2H3,(H2,12,13)/b9-5-
InChIKeyLKXRKEXXUBOXSF-UITAMQMPSA-N
XLogP1.34
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.34
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'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide (CID 87427491) is N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide is C/C(N)=N\C/C(F)=C/CCC(C)N.
What is the InChIKey of N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide?
The InChIKey is LKXRKEXXUBOXSF-UITAMQMPSA-N. The full InChI is InChI=1S/C9H18FN3/c1-7(11)4-3-5-9(10)6-13-8(2)12/h5,7H,3-4,6,11H2,1-2H3,(H2,12,13)/b9-5-.
What are the key properties of N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide?
N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide has a molecular weight of 187.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide is sourced from PubChem (CID 87427491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).