4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine

C11H20FN3O — CID 103392490

IUPAC4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1nccn1C
InChIInChI=1S/C11H20FN3O/c1-15-7-6-14-10(15)8-11(12,9-16-2)4-3-5-13/h6-7H,3-5,8-9,13H2,1-2H3
InChIKeyHZUQHRWXVGWRRM-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.06
Rot. Bonds7

About 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine

4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine (PubChem CID 103392490) has the molecular formula C11H20FN3O and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine
PubChem CID103392490
Molecular FormulaC11H20FN3O
Molecular Weight229.30 g/mol
Exact Mass229.16
IUPAC Name4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)Cc1nccn1C
InChIInChI=1S/C11H20FN3O/c1-15-7-6-14-10(15)8-11(12,9-16-2)4-3-5-13/h6-7H,3-5,8-9,13H2,1-2H3
InChIKeyHZUQHRWXVGWRRM-UHFFFAOYSA-N
XLogP1.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine (CID 103392490) is 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine is COCC(F)(CCCN)Cc1nccn1C.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine?
The InChIKey is HZUQHRWXVGWRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O/c1-15-7-6-14-10(15)8-11(12,9-16-2)4-3-5-13/h6-7H,3-5,8-9,13H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine?
4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine has a molecular weight of 229.30 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-5-(1-methylimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 103392490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).