3-[2-fluoroethyl(methyl)amino]propanimidamide

C6H14FN3 — CID 80695717

IUPAC3-[2-fluoroethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCF
InChIInChI=1S/C6H14FN3/c1-10(5-3-7)4-2-6(8)9/h2-5H2,1H3,(H3,8,9)
InChIKeyOMNIIKSUSAZQIW-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.21
Rot. Bonds5

About 3-[2-fluoroethyl(methyl)amino]propanimidamide

3-[2-fluoroethyl(methyl)amino]propanimidamide (PubChem CID 80695717) has the molecular formula C6H14FN3 and a molecular weight of 147.20 g/mol. Its IUPAC name is 3-[2-fluoroethyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-fluoroethyl(methyl)amino]propanimidamide
PubChem CID80695717
Molecular FormulaC6H14FN3
Molecular Weight147.20 g/mol
Exact Mass147.12
IUPAC Name3-[2-fluoroethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCF
InChIInChI=1S/C6H14FN3/c1-10(5-3-7)4-2-6(8)9/h2-5H2,1H3,(H3,8,9)
InChIKeyOMNIIKSUSAZQIW-UHFFFAOYSA-N
XLogP0.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.21
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 3-[2-fluoroethyl(methyl)amino]propanimidamide?
The IUPAC name of 3-[2-fluoroethyl(methyl)amino]propanimidamide (CID 80695717) is 3-[2-fluoroethyl(methyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-fluoroethyl(methyl)amino]propanimidamide?
The canonical SMILES for 3-[2-fluoroethyl(methyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CCF.
What is the InChIKey of 3-[2-fluoroethyl(methyl)amino]propanimidamide?
The InChIKey is OMNIIKSUSAZQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3/c1-10(5-3-7)4-2-6(8)9/h2-5H2,1H3,(H3,8,9).
What are the key properties of 3-[2-fluoroethyl(methyl)amino]propanimidamide?
3-[2-fluoroethyl(methyl)amino]propanimidamide has a molecular weight of 147.20 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(methyl)amino]propanimidamide is sourced from PubChem (CID 80695717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).