1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine

C15H21N3 — CID 79514665

IUPAC1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
SMILESCCC(C)N1C(N)=NCC12Cc1ccccc1C2
InChIInChI=1S/C15H21N3/c1-3-11(2)18-14(16)17-10-15(18)8-12-6-4-5-7-13(12)9-15/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeyIJFXVBTWGYQXOJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.95
Rot. Bonds2

About 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine

1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine (PubChem CID 79514665) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
PubChem CID79514665
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
SMILESCCC(C)N1C(N)=NCC12Cc1ccccc1C2
InChIInChI=1S/C15H21N3/c1-3-11(2)18-14(16)17-10-15(18)8-12-6-4-5-7-13(12)9-15/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeyIJFXVBTWGYQXOJ-UHFFFAOYSA-N
XLogP1.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine (CID 79514665) is 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine is CCC(C)N1C(N)=NCC12Cc1ccccc1C2.
What is the InChIKey of 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine?
The InChIKey is IJFXVBTWGYQXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-11(2)18-14(16)17-10-15(18)8-12-6-4-5-7-13(12)9-15/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine?
1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine has a molecular weight of 243.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79514665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).