N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride

C10H22Cl2FN3 — CID 91593498

IUPACN'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride
SMILESC/C(N)=N\C/C=C(\F)CCC(C)(C)N.Cl.Cl
InChIInChI=1S/C10H20FN3.2ClH/c1-8(12)14-7-5-9(11)4-6-10(2,3)13;;/h5H,4,6-7,13H2,1-3H3,(H2,12,14);2*1H/b9-5-;;
InChIKeyZQCYGGZGGNNQCT-XDYVNXDCSA-N
MW274.21 g/mol
LogP2.58
Rot. Bonds5

About N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride

N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride (PubChem CID 91593498) has the molecular formula C10H22Cl2FN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride
PubChem CID91593498
Molecular FormulaC10H22Cl2FN3
Molecular Weight274.21 g/mol
Exact Mass273.12
IUPAC NameN'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride
SMILESC/C(N)=N\C/C=C(\F)CCC(C)(C)N.Cl.Cl
InChIInChI=1S/C10H20FN3.2ClH/c1-8(12)14-7-5-9(11)4-6-10(2,3)13;;/h5H,4,6-7,13H2,1-3H3,(H2,12,14);2*1H/b9-5-;;
InChIKeyZQCYGGZGGNNQCT-XDYVNXDCSA-N
XLogP2.58
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.58
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-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride?
The IUPAC name of N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride (CID 91593498) is N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride.
What is the SMILES notation for N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride?
The canonical SMILES for N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride is C/C(N)=N\C/C=C(\F)CCC(C)(C)N.Cl.Cl.
What is the InChIKey of N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride?
The InChIKey is ZQCYGGZGGNNQCT-XDYVNXDCSA-N. The full InChI is InChI=1S/C10H20FN3.2ClH/c1-8(12)14-7-5-9(11)4-6-10(2,3)13;;/h5H,4,6-7,13H2,1-3H3,(H2,12,14);2*1H/b9-5-;;.
What are the key properties of N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride?
N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride has a molecular weight of 274.21 g/mol, XLogP of 2.58, 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-3-fluoro-6-methylhept-2-enyl]ethanimidamide;dihydrochloride is sourced from PubChem (CID 91593498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).