2-fluoro-4-methylpentanimidamide

C6H13FN2 — CID 115011258

IUPAC2-fluoro-4-methylpentanimidamide
SMILES[H]/N=C(\N)C(F)CC(C)C
InChIInChI=1S/C6H13FN2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H3,8,9)
InChIKeyQPRAGGDSEONQLW-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.31
Rot. Bonds3

About 2-fluoro-4-methylpentanimidamide

2-fluoro-4-methylpentanimidamide (PubChem CID 115011258) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-fluoro-4-methylpentanimidamide.

Molecular Properties

Compound Name2-fluoro-4-methylpentanimidamide
PubChem CID115011258
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name2-fluoro-4-methylpentanimidamide
SMILES[H]/N=C(\N)C(F)CC(C)C
InChIInChI=1S/C6H13FN2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H3,8,9)
InChIKeyQPRAGGDSEONQLW-UHFFFAOYSA-N
XLogP1.31
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
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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Related Compounds

3-Methylpentanimidamide hydrochloride
CID 50999456
2-Methylpentanimidamide hydrochloride
CID 75481803
4-Methylpentanimidamide
CID 14144283
2-Ethylbutanimidamide
CID 21537473
2-Methylcyclopropane-1-carboximidamide
CID 10285777
4,4,4-Trifluoro-3-methylbutanimidamide
CID 83682014
4,4,4-Trifluoro-2-methylbutanimidamide
CID 123500667
3-Fluorocyclobutane-1-carboximidamide
CID 83853924
4-Fluoropentanimidamide
CID 105427143
2-Fluorocyclopentane-1-carboximidamide
CID 105427519
2-Cyclopropyl-2-fluoroethanimidamide
CID 115011075
2-Fluoro-3-methylbutanimidamide
CID 115011084

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylpentanimidamide?
The IUPAC name of 2-fluoro-4-methylpentanimidamide (CID 115011258) is 2-fluoro-4-methylpentanimidamide.
What is the SMILES notation for 2-fluoro-4-methylpentanimidamide?
The canonical SMILES for 2-fluoro-4-methylpentanimidamide is [H]/N=C(\N)C(F)CC(C)C.
What is the InChIKey of 2-fluoro-4-methylpentanimidamide?
The InChIKey is QPRAGGDSEONQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H3,8,9).
What are the key properties of 2-fluoro-4-methylpentanimidamide?
2-fluoro-4-methylpentanimidamide has a molecular weight of 132.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylpentanimidamide is sourced from PubChem (CID 115011258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).