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

C7H16FN3 — CID 80695876

IUPAC3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCF
InChIInChI=1S/C7H16FN3/c1-6(7(9)10)5-11(2)4-3-8/h6H,3-5H2,1-2H3,(H3,9,10)
InChIKeyADNSBTKQYPSEBG-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.46
Rot. Bonds5

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

3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 80695876) has the molecular formula C7H16FN3 and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide
PubChem CID80695876
Molecular FormulaC7H16FN3
Molecular Weight161.22 g/mol
Exact Mass161.13
IUPAC Name3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCF
InChIInChI=1S/C7H16FN3/c1-6(7(9)10)5-11(2)4-3-8/h6H,3-5H2,1-2H3,(H3,9,10)
InChIKeyADNSBTKQYPSEBG-UHFFFAOYSA-N
XLogP0.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.46
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]-2-methylpropanimidamide?
The IUPAC name of 3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide (CID 80695876) is 3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CCF.
What is the InChIKey of 3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is ADNSBTKQYPSEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN3/c1-6(7(9)10)5-11(2)4-3-8/h6H,3-5H2,1-2H3,(H3,9,10).
What are the key properties of 3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide?
3-[2-fluoroethyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 161.22 g/mol, XLogP of 0.46, 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]-2-methylpropanimidamide is sourced from PubChem (CID 80695876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).