2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

C12H16N4O — CID 114936698

IUPAC2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNCCn2ccnc2)cn1
InChIInChI=1S/C12H16N4O/c1-17-12-3-2-11(9-15-12)8-13-4-6-16-7-5-14-10-16/h2-3,5,7,9-10,13H,4,6,8H2,1H3
InChIKeyOYXODXIUUFESIV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds6

About 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 114936698) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID114936698
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNCCn2ccnc2)cn1
InChIInChI=1S/C12H16N4O/c1-17-12-3-2-11(9-15-12)8-13-4-6-16-7-5-14-10-16/h2-3,5,7,9-10,13H,4,6,8H2,1H3
InChIKeyOYXODXIUUFESIV-UHFFFAOYSA-N
XLogP1.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
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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Related Compounds

2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 105006718
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-imidazol-1-ylethanamine
CID 35591627
4-[(2-imidazol-1-ylethylamino)methyl]benzene-1,2-diol
CID 60664482
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022
2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 61463163
3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 146273628
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (CID 114936698) is 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is COc1ccc(CNCCn2ccnc2)cn1.
What is the InChIKey of 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is OYXODXIUUFESIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-12-3-2-11(9-15-12)8-13-4-6-16-7-5-14-10-16/h2-3,5,7,9-10,13H,4,6,8H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114936698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).