1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine

C13H25N3O2 — CID 106564443

IUPAC1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCOCCOCCn1cc(C)nc1NCC(C)C
InChIInChI=1S/C13H25N3O2/c1-11(2)9-14-13-15-12(3)10-16(13)5-6-18-8-7-17-4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyBEJPDKHVHYHRED-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.92
Rot. Bonds9

About 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine

1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106564443) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106564443
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCOCCOCCn1cc(C)nc1NCC(C)C
InChIInChI=1S/C13H25N3O2/c1-11(2)9-14-13-15-12(3)10-16(13)5-6-18-8-7-17-4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyBEJPDKHVHYHRED-UHFFFAOYSA-N
XLogP1.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine (CID 106564443) is 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine is COCCOCCn1cc(C)nc1NCC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is BEJPDKHVHYHRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)9-14-13-15-12(3)10-16(13)5-6-18-8-7-17-4/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 255.36 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106564443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).