N'-(2-fluoroethyl)pentanimidamide

C7H15FN2 — CID 89100101

IUPACN'-(2-fluoroethyl)pentanimidamide
SMILESCCCC/C(N)=N\CCF
InChIInChI=1S/C7H15FN2/c1-2-3-4-7(9)10-6-5-8/h2-6H2,1H3,(H2,9,10)
InChIKeyKKKYPTSBRNPRTA-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.50
Rot. Bonds5

About N'-(2-fluoroethyl)pentanimidamide

N'-(2-fluoroethyl)pentanimidamide (PubChem CID 89100101) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is N'-(2-fluoroethyl)pentanimidamide.

Molecular Properties

Compound NameN'-(2-fluoroethyl)pentanimidamide
PubChem CID89100101
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC NameN'-(2-fluoroethyl)pentanimidamide
SMILESCCCC/C(N)=N\CCF
InChIInChI=1S/C7H15FN2/c1-2-3-4-7(9)10-6-5-8/h2-6H2,1H3,(H2,9,10)
InChIKeyKKKYPTSBRNPRTA-UHFFFAOYSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-(2-fluoroethyl)pentanimidamide?
The IUPAC name of N'-(2-fluoroethyl)pentanimidamide (CID 89100101) is N'-(2-fluoroethyl)pentanimidamide.
What is the SMILES notation for N'-(2-fluoroethyl)pentanimidamide?
The canonical SMILES for N'-(2-fluoroethyl)pentanimidamide is CCCC/C(N)=N\CCF.
What is the InChIKey of N'-(2-fluoroethyl)pentanimidamide?
The InChIKey is KKKYPTSBRNPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-2-3-4-7(9)10-6-5-8/h2-6H2,1H3,(H2,9,10).
What are the key properties of N'-(2-fluoroethyl)pentanimidamide?
N'-(2-fluoroethyl)pentanimidamide has a molecular weight of 146.21 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoroethyl)pentanimidamide is sourced from PubChem (CID 89100101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).