3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine

C16H23N3O — CID 104524950

IUPAC3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
SMILESCC(C)CN1C(N)=NCC12c1ccccc1OCC2C
InChIInChI=1S/C16H23N3O/c1-11(2)8-19-15(17)18-10-16(19)12(3)9-20-14-7-5-4-6-13(14)16/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18)
InChIKeyKGTYPLMMXXZXQG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds2

About 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine

3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine (PubChem CID 104524950) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
PubChem CID104524950
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
SMILESCC(C)CN1C(N)=NCC12c1ccccc1OCC2C
InChIInChI=1S/C16H23N3O/c1-11(2)8-19-15(17)18-10-16(19)12(3)9-20-14-7-5-4-6-13(14)16/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18)
InChIKeyKGTYPLMMXXZXQG-UHFFFAOYSA-N
XLogP2.20
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine (CID 104524950) is 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine is CC(C)CN1C(N)=NCC12c1ccccc1OCC2C.
What is the InChIKey of 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is KGTYPLMMXXZXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)8-19-15(17)18-10-16(19)12(3)9-20-14-7-5-4-6-13(14)16/h4-7,11-12H,8-10H2,1-3H3,(H2,17,18).
What are the key properties of 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine?
3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 273.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 104524950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).