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

C15H21N3O — CID 79505688

IUPAC1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCOCCN1C(N)=NCC12CCCc1ccccc12
InChIInChI=1S/C15H21N3O/c1-19-10-9-18-14(16)17-11-15(18)8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7H,4,6,8-11H2,1H3,(H2,16,17)
InChIKeyWWXQRFGZRFOBIS-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.49
Rot. Bonds3

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

1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79505688) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79505688
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCOCCN1C(N)=NCC12CCCc1ccccc12
InChIInChI=1S/C15H21N3O/c1-19-10-9-18-14(16)17-11-15(18)8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7H,4,6,8-11H2,1H3,(H2,16,17)
InChIKeyWWXQRFGZRFOBIS-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (CID 79505688) is 1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is COCCN1C(N)=NCC12CCCc1ccccc12.
What is the InChIKey of 1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is WWXQRFGZRFOBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-10-9-18-14(16)17-11-15(18)8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7H,4,6,8-11H2,1H3,(H2,16,17).
What are the key properties of 1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 259.35 g/mol, XLogP of 1.49, 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[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79505688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).