2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

C15H22N4O — CID 114527554

IUPAC2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCC(C)Oc1ncccc1CNCCc1nccn1C
InChIInChI=1S/C15H22N4O/c1-12(2)20-15-13(5-4-7-18-15)11-16-8-6-14-17-9-10-19(14)3/h4-5,7,9-10,12,16H,6,8,11H2,1-3H3
InChIKeyBANOMWLHHINFJP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.93
Rot. Bonds7

About 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (PubChem CID 114527554) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
PubChem CID114527554
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCC(C)Oc1ncccc1CNCCc1nccn1C
InChIInChI=1S/C15H22N4O/c1-12(2)20-15-13(5-4-7-18-15)11-16-8-6-14-17-9-10-19(14)3/h4-5,7,9-10,12,16H,6,8,11H2,1-3H3
InChIKeyBANOMWLHHINFJP-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895253
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62756157
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 55108547
2-(1-methylimidazol-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648410

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (CID 114527554) is 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is CC(C)Oc1ncccc1CNCCc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is BANOMWLHHINFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)20-15-13(5-4-7-18-15)11-16-8-6-14-17-9-10-19(14)3/h4-5,7,9-10,12,16H,6,8,11H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114527554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).