N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide

C8H16FN3O — CID 158121163

IUPACN'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide
SMILESC/C(N)=N\CCC[C@H](N)C(=O)CF
InChIInChI=1S/C8H16FN3O/c1-6(10)12-4-2-3-7(11)8(13)5-9/h7H,2-5,11H2,1H3,(H2,10,12)/t7-/m0/s1
InChIKeyKDFZPMOFVKPDSS-ZETCQYMHSA-N
MW189.23 g/mol
LogP0.01
Rot. Bonds6

About N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide

N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide (PubChem CID 158121163) has the molecular formula C8H16FN3O and a molecular weight of 189.23 g/mol. Its IUPAC name is N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide
PubChem CID158121163
Molecular FormulaC8H16FN3O
Molecular Weight189.23 g/mol
Exact Mass189.13
IUPAC NameN'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide
SMILESC/C(N)=N\CCC[C@H](N)C(=O)CF
InChIInChI=1S/C8H16FN3O/c1-6(10)12-4-2-3-7(11)8(13)5-9/h7H,2-5,11H2,1H3,(H2,10,12)/t7-/m0/s1
InChIKeyKDFZPMOFVKPDSS-ZETCQYMHSA-N
XLogP0.01
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide?
The IUPAC name of N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide (CID 158121163) is N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide.
What is the SMILES notation for N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide?
The canonical SMILES for N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide is C/C(N)=N\CCC[C@H](N)C(=O)CF.
What is the InChIKey of N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide?
The InChIKey is KDFZPMOFVKPDSS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16FN3O/c1-6(10)12-4-2-3-7(11)8(13)5-9/h7H,2-5,11H2,1H3,(H2,10,12)/t7-/m0/s1.
What are the key properties of N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide?
N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide has a molecular weight of 189.23 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4S)-4-amino-6-fluoro-5-oxohexyl]ethanimidamide is sourced from PubChem (CID 158121163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).