1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine

C11H19N3O — CID 106561174

IUPAC1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCOC
InChIInChI=1S/C11H19N3O/c1-4-6-12-11-13-10(2)9-14(11)7-5-8-15-3/h4,9H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyRHELPGRLFUIKSW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.83
Rot. Bonds7

About 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine

1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106561174) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106561174
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCOC
InChIInChI=1S/C11H19N3O/c1-4-6-12-11-13-10(2)9-14(11)7-5-8-15-3/h4,9H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyRHELPGRLFUIKSW-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106561174) is 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CCCOC.
What is the InChIKey of 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is RHELPGRLFUIKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-12-11-13-10(2)9-14(11)7-5-8-15-3/h4,9H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106561174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).