N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine

C15H22N4O — CID 106575849

IUPACN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine
SMILESCCOCCCn1cc(C)nc1Nc1cccnc1C
InChIInChI=1S/C15H22N4O/c1-4-20-10-6-9-19-11-12(2)17-15(19)18-14-7-5-8-16-13(14)3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,17,18)
InChIKeyAVRUCQBJQHABKT-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.07
Rot. Bonds7

About N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine

N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine (PubChem CID 106575849) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine
PubChem CID106575849
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine
SMILESCCOCCCn1cc(C)nc1Nc1cccnc1C
InChIInChI=1S/C15H22N4O/c1-4-20-10-6-9-19-11-12(2)17-15(19)18-14-7-5-8-16-13(14)3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,17,18)
InChIKeyAVRUCQBJQHABKT-UHFFFAOYSA-N
XLogP3.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine?
The IUPAC name of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine (CID 106575849) is N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine is CCOCCCn1cc(C)nc1Nc1cccnc1C.
What is the InChIKey of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine?
The InChIKey is AVRUCQBJQHABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-20-10-6-9-19-11-12(2)17-15(19)18-14-7-5-8-16-13(14)3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine?
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine has a molecular weight of 274.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine is sourced from PubChem (CID 106575849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).