N-ethyl-N'-(3-fluoropropyl)propanimidamide

C8H17FN2 — CID 123547980

IUPACN-ethyl-N'-(3-fluoropropyl)propanimidamide
SMILESCCN/C(CC)=N/CCCF
InChIInChI=1S/C8H17FN2/c1-3-8(10-4-2)11-7-5-6-9/h3-7H2,1-2H3,(H,10,11)
InChIKeyYLBLJWMHPGQESH-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.76
Rot. Bonds5

About N-ethyl-N'-(3-fluoropropyl)propanimidamide

N-ethyl-N'-(3-fluoropropyl)propanimidamide (PubChem CID 123547980) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is N-ethyl-N'-(3-fluoropropyl)propanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-fluoropropyl)propanimidamide
PubChem CID123547980
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC NameN-ethyl-N'-(3-fluoropropyl)propanimidamide
SMILESCCN/C(CC)=N/CCCF
InChIInChI=1S/C8H17FN2/c1-3-8(10-4-2)11-7-5-6-9/h3-7H2,1-2H3,(H,10,11)
InChIKeyYLBLJWMHPGQESH-UHFFFAOYSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-N'-(3-fluoropropyl)propanimidamide?
The IUPAC name of N-ethyl-N'-(3-fluoropropyl)propanimidamide (CID 123547980) is N-ethyl-N'-(3-fluoropropyl)propanimidamide.
What is the SMILES notation for N-ethyl-N'-(3-fluoropropyl)propanimidamide?
The canonical SMILES for N-ethyl-N'-(3-fluoropropyl)propanimidamide is CCN/C(CC)=N/CCCF.
What is the InChIKey of N-ethyl-N'-(3-fluoropropyl)propanimidamide?
The InChIKey is YLBLJWMHPGQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-3-8(10-4-2)11-7-5-6-9/h3-7H2,1-2H3,(H,10,11).
What are the key properties of N-ethyl-N'-(3-fluoropropyl)propanimidamide?
N-ethyl-N'-(3-fluoropropyl)propanimidamide has a molecular weight of 160.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-fluoropropyl)propanimidamide is sourced from PubChem (CID 123547980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).