1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine

C15H29N3O — CID 106578866

IUPAC1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
SMILESCCCCCCCCNc1nc(C)cn1CCOC
InChIInChI=1S/C15H29N3O/c1-4-5-6-7-8-9-10-16-15-17-14(2)13-18(15)11-12-19-3/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyLEOBSGRLDZSDLO-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.61
Rot. Bonds11

About 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine

1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine (PubChem CID 106578866) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
PubChem CID106578866
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
SMILESCCCCCCCCNc1nc(C)cn1CCOC
InChIInChI=1S/C15H29N3O/c1-4-5-6-7-8-9-10-16-15-17-14(2)13-18(15)11-12-19-3/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyLEOBSGRLDZSDLO-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.61
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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Related Compounds

1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106581885
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106564440
N-(2-cyclopentyloxyethyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106573155
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573359
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
1-(2-methoxyethyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557477

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine (CID 106578866) is 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine is CCCCCCCCNc1nc(C)cn1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine?
The InChIKey is LEOBSGRLDZSDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-5-6-7-8-9-10-16-15-17-14(2)13-18(15)11-12-19-3/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine?
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine is sourced from PubChem (CID 106578866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).