1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine

C13H25N3O3 — CID 106564456

IUPAC1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCOCCOC
InChIInChI=1S/C13H25N3O3/c1-12-11-16(6-8-19-10-9-18-3)13(15-12)14-5-4-7-17-2/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyACWUMYBDUVZSSC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.30
Rot. Bonds11

About 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine

1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106564456) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106564456
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCOCCOC
InChIInChI=1S/C13H25N3O3/c1-12-11-16(6-8-19-10-9-18-3)13(15-12)14-5-4-7-17-2/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyACWUMYBDUVZSSC-UHFFFAOYSA-N
XLogP1.30
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106564440
1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106564443
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573359
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106581178
N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571929
1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106571519
1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106581885

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106564456) is 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1CCOCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is ACWUMYBDUVZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12-11-16(6-8-19-10-9-18-3)13(15-12)14-5-4-7-17-2/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 271.36 g/mol, XLogP of 1.30, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106564456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).