3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide

C7H16FN3 — CID 137410372

IUPAC3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide
SMILESCC(C)C/N=C(\N)C(F)CN
InChIInChI=1S/C7H16FN3/c1-5(2)4-11-7(10)6(8)3-9/h5-6H,3-4,9H2,1-2H3,(H2,10,11)
InChIKeyMXJPDIDUXLUPLH-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.30
Rot. Bonds4

About 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide

3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide (PubChem CID 137410372) has the molecular formula C7H16FN3 and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide.

Molecular Properties

Compound Name3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide
PubChem CID137410372
Molecular FormulaC7H16FN3
Molecular Weight161.22 g/mol
Exact Mass161.13
IUPAC Name3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide
SMILESCC(C)C/N=C(\N)C(F)CN
InChIInChI=1S/C7H16FN3/c1-5(2)4-11-7(10)6(8)3-9/h5-6H,3-4,9H2,1-2H3,(H2,10,11)
InChIKeyMXJPDIDUXLUPLH-UHFFFAOYSA-N
XLogP0.30
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.30
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-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide?
The IUPAC name of 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide (CID 137410372) is 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide.
What is the SMILES notation for 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide?
The canonical SMILES for 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide is CC(C)C/N=C(\N)C(F)CN.
What is the InChIKey of 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide?
The InChIKey is MXJPDIDUXLUPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN3/c1-5(2)4-11-7(10)6(8)3-9/h5-6H,3-4,9H2,1-2H3,(H2,10,11).
What are the key properties of 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide?
3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide has a molecular weight of 161.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoro-N'-(2-methylpropyl)propanimidamide is sourced from PubChem (CID 137410372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).