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

C13H27N3O — CID 79504712

IUPAC5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCCCCCCC1(C)CN=C(N)N1CCOC
InChIInChI=1S/C13H27N3O/c1-4-5-6-7-8-13(2)11-15-12(14)16(13)9-10-17-3/h4-11H2,1-3H3,(H2,14,15)
InChIKeyULGQTXYAXBRBGP-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.99
Rot. Bonds8

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

5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79504712) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79504712
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCCCCCCC1(C)CN=C(N)N1CCOC
InChIInChI=1S/C13H27N3O/c1-4-5-6-7-8-13(2)11-15-12(14)16(13)9-10-17-3/h4-11H2,1-3H3,(H2,14,15)
InChIKeyULGQTXYAXBRBGP-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79504712) is 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is CCCCCCC1(C)CN=C(N)N1CCOC.
What is the InChIKey of 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is ULGQTXYAXBRBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-5-6-7-8-13(2)11-15-12(14)16(13)9-10-17-3/h4-11H2,1-3H3,(H2,14,15).
What are the key properties of 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 241.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79504712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).