1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine

C11H23N3O — CID 79505096

IUPAC1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(CC)COC
InChIInChI=1S/C11H23N3O/c1-5-9(3)14-10(12)13-7-11(14,6-2)8-15-4/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyNQSLMLVBWHLIFZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds5

About 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine

1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine (PubChem CID 79505096) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
PubChem CID79505096
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(CC)COC
InChIInChI=1S/C11H23N3O/c1-5-9(3)14-10(12)13-7-11(14,6-2)8-15-4/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyNQSLMLVBWHLIFZ-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
CID 79510430
5-ethyl-5-(methoxymethyl)-1-propyl-4H-imidazol-2-amine
CID 79510638
1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
CID 79521015
1-butan-2-yl-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79515044
5-ethyl-5-(methoxymethyl)-1-(3-methoxyphenyl)-4H-imidazol-2-amine
CID 79514339
1-butan-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 103961626
1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874968
1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79514448
5-butan-2-yl-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565697
1'-butan-2-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
CID 79514665
1-butan-2-yl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79503022
1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79514662

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine (CID 79505096) is 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine is CCC(C)N1C(N)=NCC1(CC)COC.
What is the InChIKey of 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine?
The InChIKey is NQSLMLVBWHLIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-9(3)14-10(12)13-7-11(14,6-2)8-15-4/h9H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine?
1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine has a molecular weight of 213.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79505096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).