4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one

C11H21N3O2 — CID 79967017

IUPAC4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
SMILESCCC(C)C1(C)C(N)=NC(=O)N1CCOC
InChIInChI=1S/C11H21N3O2/c1-5-8(2)11(3)9(12)13-10(15)14(11)6-7-16-4/h8H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyMZMPFWAIEXPFPT-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.23
Rot. Bonds5

About 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one

4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one (PubChem CID 79967017) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
PubChem CID79967017
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
SMILESCCC(C)C1(C)C(N)=NC(=O)N1CCOC
InChIInChI=1S/C11H21N3O2/c1-5-8(2)11(3)9(12)13-10(15)14(11)6-7-16-4/h8H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyMZMPFWAIEXPFPT-UHFFFAOYSA-N
XLogP1.23
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one
CID 79967581
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
4-amino-1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79966909
4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one
CID 79967104
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967190
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 106824969
4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
CID 79972355
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)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4-amino-5,5-dimethyl-1-propylimidazol-2-one
CID 79959875
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-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The IUPAC name of 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one (CID 79967017) is 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one.
What is the SMILES notation for 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The canonical SMILES for 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one is CCC(C)C1(C)C(N)=NC(=O)N1CCOC.
What is the InChIKey of 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The InChIKey is MZMPFWAIEXPFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-8(2)11(3)9(12)13-10(15)14(11)6-7-16-4/h8H,5-7H2,1-4H3,(H2,12,13,15).
What are the key properties of 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one has a molecular weight of 227.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one is sourced from PubChem (CID 79967017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).