N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide

C9H18FN3 — CID 141078393

IUPACN'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C(F)=C\CC[C@@H](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+/t7-/m1/s1
InChIKeyLKXRKEXXUBOXSF-AJQDLKILSA-N
MW187.26 g/mol
LogP1.34
Rot. Bonds5

About N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide

N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide (PubChem CID 141078393) has the molecular formula C9H18FN3 and a molecular weight of 187.26 g/mol. Its IUPAC name is N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide
PubChem CID141078393
Molecular FormulaC9H18FN3
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC NameN'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C(F)=C\CC[C@@H](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+/t7-/m1/s1
InChIKeyLKXRKEXXUBOXSF-AJQDLKILSA-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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Related Compounds

N'-[(E)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 60008710
N'-[(Z)-6-amino-3-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 60008724
N'-[(Z)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 87427491
N'-[(E)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 87954620
N'-[(Z)-6-amino-2-fluoro-6-methylhept-2-enyl]ethanimidamide
CID 87954621
N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 141082217
N'-[(E)-6-amino-3,4-difluorohept-3-enyl]ethanimidamide
CID 142092315
N'-[(E,6R)-6-amino-3-fluorooct-3-enyl]ethanimidamide
CID 142092324
N'-[(Z)-5-amino-3-fluoro-5-methylhex-3-enyl]ethanimidamide
CID 142124995
N'-[(E,6S)-6-amino-2-fluorohept-2-enyl]-N-hydroxyethanimidamide
CID 150053263
N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide
CID 155728926
N'-[(E)-6-amino-2-fluorohept-2-enyl]ethanimidamide
CID 142831814

Frequently Asked Questions

What is the IUPAC name of N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide?
The IUPAC name of N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide (CID 141078393) is N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide?
The canonical SMILES for N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide is C/C(N)=N\C/C(F)=C\CC[C@@H](C)N.
What is the InChIKey of N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide?
The InChIKey is LKXRKEXXUBOXSF-AJQDLKILSA-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+/t7-/m1/s1.
What are the key properties of N'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide?
N'-[(E,6R)-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'-[(E,6R)-6-amino-2-fluorohept-2-enyl]ethanimidamide is sourced from PubChem (CID 141078393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).