6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine

C15H20FN3 — CID 116532523

IUPAC6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
SMILESCC(C)CN1C(N)=NCC12CCc1cc(F)ccc12
InChIInChI=1S/C15H20FN3/c1-10(2)8-19-14(17)18-9-15(19)6-5-11-7-12(16)3-4-13(11)15/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,17,18)
InChIKeyNTIOZZMWCXZKMK-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.25
Rot. Bonds2

About 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine

6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine (PubChem CID 116532523) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
PubChem CID116532523
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
SMILESCC(C)CN1C(N)=NCC12CCc1cc(F)ccc12
InChIInChI=1S/C15H20FN3/c1-10(2)8-19-14(17)18-9-15(19)6-5-11-7-12(16)3-4-13(11)15/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,17,18)
InChIKeyNTIOZZMWCXZKMK-UHFFFAOYSA-N
XLogP2.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine (CID 116532523) is 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine is CC(C)CN1C(N)=NCC12CCc1cc(F)ccc12.
What is the InChIKey of 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is NTIOZZMWCXZKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(2)8-19-14(17)18-9-15(19)6-5-11-7-12(16)3-4-13(11)15/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,17,18).
What are the key properties of 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 261.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 116532523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).