1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

C17H25N3O — CID 79502858

IUPAC1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCOCCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H25N3O/c1-16(2)8-9-17(14-7-5-4-6-13(14)16)12-19-15(18)20(17)10-11-21-3/h4-7H,8-12H2,1-3H3,(H2,18,19)
InChIKeyCPMNIHCXCHTILR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.23
Rot. Bonds3

About 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79502858) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79502858
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCOCCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H25N3O/c1-16(2)8-9-17(14-7-5-4-6-13(14)16)12-19-15(18)20(17)10-11-21-3/h4-7H,8-12H2,1-3H3,(H2,18,19)
InChIKeyCPMNIHCXCHTILR-UHFFFAOYSA-N
XLogP2.23
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 114873228
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CID 86663183
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CID 145508499
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CID 45379695
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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (CID 79502858) is 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is COCCN1C(N)=NCC12CCC(C)(C)c1ccccc12.
What is the InChIKey of 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is CPMNIHCXCHTILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-16(2)8-9-17(14-7-5-4-6-13(14)16)12-19-15(18)20(17)10-11-21-3/h4-7H,8-12H2,1-3H3,(H2,18,19).
What are the key properties of 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 287.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyethyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79502858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).