4-fluoro-N-methylpentan-1-amine

C6H14FN — CID 123463233

IUPAC4-fluoro-N-methylpentan-1-amine
SMILESCNCCCC(C)F
InChIInChI=1S/C6H14FN/c1-6(7)4-3-5-8-2/h6,8H,3-5H2,1-2H3
InChIKeyQQGXETWEMHSBTL-UHFFFAOYSA-N
MW119.18 g/mol
LogP1.34
Rot. Bonds4

About 4-fluoro-N-methylpentan-1-amine

4-fluoro-N-methylpentan-1-amine (PubChem CID 123463233) has the molecular formula C6H14FN and a molecular weight of 119.18 g/mol. Its IUPAC name is 4-fluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methylpentan-1-amine
PubChem CID123463233
Molecular FormulaC6H14FN
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC Name4-fluoro-N-methylpentan-1-amine
SMILESCNCCCC(C)F
InChIInChI=1S/C6H14FN/c1-6(7)4-3-5-8-2/h6,8H,3-5H2,1-2H3
InChIKeyQQGXETWEMHSBTL-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methylpentan-1-amine?
The IUPAC name of 4-fluoro-N-methylpentan-1-amine (CID 123463233) is 4-fluoro-N-methylpentan-1-amine.
What is the SMILES notation for 4-fluoro-N-methylpentan-1-amine?
The canonical SMILES for 4-fluoro-N-methylpentan-1-amine is CNCCCC(C)F.
What is the InChIKey of 4-fluoro-N-methylpentan-1-amine?
The InChIKey is QQGXETWEMHSBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN/c1-6(7)4-3-5-8-2/h6,8H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-N-methylpentan-1-amine?
4-fluoro-N-methylpentan-1-amine has a molecular weight of 119.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylpentan-1-amine is sourced from PubChem (CID 123463233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).