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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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).