4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one

C15H23N3O2 — CID 79972355

IUPAC4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
SMILESCOCCN1C(=O)N=C(N)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C15H23N3O2/c1-20-3-2-18-14(19)17-13(16)15(18)11-5-9-4-10(7-11)8-12(15)6-9/h9-12H,2-8H2,1H3,(H2,16,17,19)
InChIKeyBMPMUDREDUNBAQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.62
Rot. Bonds3

About 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one

4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one (PubChem CID 79972355) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
PubChem CID79972355
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
SMILESCOCCN1C(=O)N=C(N)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C15H23N3O2/c1-20-3-2-18-14(19)17-13(16)15(18)11-5-9-4-10(7-11)8-12(15)6-9/h9-12H,2-8H2,1H3,(H2,16,17,19)
InChIKeyBMPMUDREDUNBAQ-UHFFFAOYSA-N
XLogP1.62
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79966909
4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 106824969
4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967190
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967017
4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one
CID 79967104
4-amino-6-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510778
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
CID 79968231
4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 115420968
5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one
CID 79968035

Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one (CID 79972355) is 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one is COCCN1C(=O)N=C(N)C12C1CC3CC(C1)CC2C3.
What is the InChIKey of 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one?
The InChIKey is BMPMUDREDUNBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-3-2-18-14(19)17-13(16)15(18)11-5-9-4-10(7-11)8-12(15)6-9/h9-12H,2-8H2,1H3,(H2,16,17,19).
What are the key properties of 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one?
4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one has a molecular weight of 277.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one is sourced from PubChem (CID 79972355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).