5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

C13H25N3O — CID 79504943

IUPAC5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)C1CCCCC1
InChIInChI=1S/C13H25N3O/c1-13(11-6-4-3-5-7-11)10-15-12(14)16(13)8-9-17-2/h11H,3-10H2,1-2H3,(H2,14,15)
InChIKeyYZBWSPXQGJZCPA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.60
Rot. Bonds4

About 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79504943) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79504943
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)C1CCCCC1
InChIInChI=1S/C13H25N3O/c1-13(11-6-4-3-5-7-11)10-15-12(14)16(13)8-9-17-2/h11H,3-10H2,1-2H3,(H2,14,15)
InChIKeyYZBWSPXQGJZCPA-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79504943) is 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is YZBWSPXQGJZCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(11-6-4-3-5-7-11)10-15-12(14)16(13)8-9-17-2/h11H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79504943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).