1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine

C14H19N3 — CID 79509227

IUPAC1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine
SMILESCC1(C)CCC2(CN=C(N)N2)c2ccccc21
InChIInChI=1S/C14H19N3/c1-13(2)7-8-14(9-16-12(15)17-14)11-6-4-3-5-10(11)13/h3-6H,7-9H2,1-2H3,(H3,15,16,17)
InChIKeyVYFACZQXOQSSTP-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.87
Rot. Bonds

About 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine

1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine (PubChem CID 79509227) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine.

Molecular Properties

Compound Name1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine
PubChem CID79509227
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine
SMILESCC1(C)CCC2(CN=C(N)N2)c2ccccc21
InChIInChI=1S/C14H19N3/c1-13(2)7-8-14(9-16-12(15)17-14)11-6-4-3-5-10(11)13/h3-6H,7-9H2,1-2H3,(H3,15,16,17)
InChIKeyVYFACZQXOQSSTP-UHFFFAOYSA-N
XLogP1.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine?
The IUPAC name of 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine (CID 79509227) is 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine.
What is the SMILES notation for 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine?
The canonical SMILES for 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine is CC1(C)CCC2(CN=C(N)N2)c2ccccc21.
What is the InChIKey of 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine?
The InChIKey is VYFACZQXOQSSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-13(2)7-8-14(9-16-12(15)17-14)11-6-4-3-5-10(11)13/h3-6H,7-9H2,1-2H3,(H3,15,16,17).
What are the key properties of 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine?
1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine has a molecular weight of 229.33 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-dimethylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydronaphthalene]-2-amine is sourced from PubChem (CID 79509227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).