1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine

C14H25N3O2 — CID 106581178

IUPAC1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCCOCCOC
InChIInChI=1S/C14H25N3O2/c1-4-7-15-14-16-13(2)12-17(14)8-5-6-9-19-11-10-18-3/h4,12H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyAYXFHZZMUMKITB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.23
Rot. Bonds11

About 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine

1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106581178) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106581178
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCCOCCOC
InChIInChI=1S/C14H25N3O2/c1-4-7-15-14-16-13(2)12-17(14)8-5-6-9-19-11-10-18-3/h4,12H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyAYXFHZZMUMKITB-UHFFFAOYSA-N
XLogP2.23
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106581178) is 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CCCCOCCOC.
What is the InChIKey of 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is AYXFHZZMUMKITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-15-14-16-13(2)12-17(14)8-5-6-9-19-11-10-18-3/h4,12H,1,5-11H2,2-3H3,(H,15,16).
What are the key properties of 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.23, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106581178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).