6-fluoro-N',3-dimethylheptanimidamide

C9H19FN2 — CID 146490971

IUPAC6-fluoro-N',3-dimethylheptanimidamide
SMILESC/N=C(\N)CC(C)CCC(C)F
InChIInChI=1S/C9H19FN2/c1-7(4-5-8(2)10)6-9(11)12-3/h7-8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyAJNMJCVTWUCSNE-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.14
Rot. Bonds5

About 6-fluoro-N',3-dimethylheptanimidamide

6-fluoro-N',3-dimethylheptanimidamide (PubChem CID 146490971) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 6-fluoro-N',3-dimethylheptanimidamide.

Molecular Properties

Compound Name6-fluoro-N',3-dimethylheptanimidamide
PubChem CID146490971
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name6-fluoro-N',3-dimethylheptanimidamide
SMILESC/N=C(\N)CC(C)CCC(C)F
InChIInChI=1S/C9H19FN2/c1-7(4-5-8(2)10)6-9(11)12-3/h7-8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyAJNMJCVTWUCSNE-UHFFFAOYSA-N
XLogP2.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N',3-dimethylheptanimidamide?
The IUPAC name of 6-fluoro-N',3-dimethylheptanimidamide (CID 146490971) is 6-fluoro-N',3-dimethylheptanimidamide.
What is the SMILES notation for 6-fluoro-N',3-dimethylheptanimidamide?
The canonical SMILES for 6-fluoro-N',3-dimethylheptanimidamide is C/N=C(\N)CC(C)CCC(C)F.
What is the InChIKey of 6-fluoro-N',3-dimethylheptanimidamide?
The InChIKey is AJNMJCVTWUCSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7(4-5-8(2)10)6-9(11)12-3/h7-8H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 6-fluoro-N',3-dimethylheptanimidamide?
6-fluoro-N',3-dimethylheptanimidamide has a molecular weight of 174.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N',3-dimethylheptanimidamide is sourced from PubChem (CID 146490971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).