1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine

C15H21N3O — CID 79505227

IUPAC1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESCOCCN1C(N)=NCC12CCc1ccccc1C2
InChIInChI=1S/C15H21N3O/c1-19-9-8-18-14(16)17-11-15(18)7-6-12-4-2-3-5-13(12)10-15/h2-5H,6-11H2,1H3,(H2,16,17)
InChIKeyVMQRGPXTGHHTCZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.19
Rot. Bonds3

About 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine

1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (PubChem CID 79505227) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
PubChem CID79505227
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESCOCCN1C(N)=NCC12CCc1ccccc1C2
InChIInChI=1S/C15H21N3O/c1-19-9-8-18-14(16)17-11-15(18)7-6-12-4-2-3-5-13(12)10-15/h2-5H,6-11H2,1H3,(H2,16,17)
InChIKeyVMQRGPXTGHHTCZ-UHFFFAOYSA-N
XLogP1.19
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (CID 79505227) is 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is COCCN1C(N)=NCC12CCc1ccccc1C2.
What is the InChIKey of 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is VMQRGPXTGHHTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-9-8-18-14(16)17-11-15(18)7-6-12-4-2-3-5-13(12)10-15/h2-5H,6-11H2,1H3,(H2,16,17).
What are the key properties of 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 259.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79505227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).