3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine

C14H18N4O — CID 114722634

IUPAC3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine
SMILESC=C(C)COCCn1cncc1-c1cnccc1N
InChIInChI=1S/C14H18N4O/c1-11(2)9-19-6-5-18-10-17-8-14(18)12-7-16-4-3-13(12)15/h3-4,7-8,10H,1,5-6,9H2,2H3,(H2,15,16)
InChIKeyLQZNXXJEHNVWQY-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.12
Rot. Bonds6

About 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine

3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine (PubChem CID 114722634) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine
PubChem CID114722634
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine
SMILESC=C(C)COCCn1cncc1-c1cnccc1N
InChIInChI=1S/C14H18N4O/c1-11(2)9-19-6-5-18-10-17-8-14(18)12-7-16-4-3-13(12)15/h3-4,7-8,10H,1,5-6,9H2,2H3,(H2,15,16)
InChIKeyLQZNXXJEHNVWQY-UHFFFAOYSA-N
XLogP2.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.12
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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Related Compounds

5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114722630
3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine
CID 114722467
3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine
CID 106041102
3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
CID 114717599
3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 114719696
3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine
CID 114722229
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine
CID 114718909
3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716960
3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 106327236
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 114722000
3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine
CID 114720550
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718031

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine (CID 114722634) is 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine is C=C(C)COCCn1cncc1-c1cnccc1N.
What is the InChIKey of 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine?
The InChIKey is LQZNXXJEHNVWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(2)9-19-6-5-18-10-17-8-14(18)12-7-16-4-3-13(12)15/h3-4,7-8,10H,1,5-6,9H2,2H3,(H2,15,16).
What are the key properties of 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine?
3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114722634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).