1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

C18H27N3 — CID 79501537

IUPAC1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCCC(C)N1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C18H27N3/c1-5-13(2)21-16(19)20-12-18(21)11-10-17(3,4)14-8-6-7-9-15(14)18/h6-9,13H,5,10-12H2,1-4H3,(H2,19,20)
InChIKeyQRVMGUOGNVTVFW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.38
Rot. Bonds2

About 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79501537) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79501537
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCCC(C)N1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C18H27N3/c1-5-13(2)21-16(19)20-12-18(21)11-10-17(3,4)14-8-6-7-9-15(14)18/h6-9,13H,5,10-12H2,1-4H3,(H2,19,20)
InChIKeyQRVMGUOGNVTVFW-UHFFFAOYSA-N
XLogP3.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (CID 79501537) is 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is CCC(C)N1C(N)=NCC12CCC(C)(C)c1ccccc12.
What is the InChIKey of 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is QRVMGUOGNVTVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-13(2)21-16(19)20-12-18(21)11-10-17(3,4)14-8-6-7-9-15(14)18/h6-9,13H,5,10-12H2,1-4H3,(H2,19,20).
What are the key properties of 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 285.44 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butan-2-yl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79501537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).