1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C15H22N4O — CID 106578970

IUPAC1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCCc1cccnc1Cn1cc(C)nc1NCCOC
InChIInChI=1S/C15H22N4O/c1-4-13-6-5-7-16-14(13)11-19-10-12(2)18-15(19)17-8-9-20-3/h5-7,10H,4,8-9,11H2,1-3H3,(H,17,18)
InChIKeyBBOKHIVKOAMNFF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.26
Rot. Bonds7

About 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106578970) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106578970
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCCc1cccnc1Cn1cc(C)nc1NCCOC
InChIInChI=1S/C15H22N4O/c1-4-13-6-5-7-16-14(13)11-19-10-12(2)18-15(19)17-8-9-20-3/h5-7,10H,4,8-9,11H2,1-3H3,(H,17,18)
InChIKeyBBOKHIVKOAMNFF-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106578970) is 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine is CCc1cccnc1Cn1cc(C)nc1NCCOC.
What is the InChIKey of 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is BBOKHIVKOAMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-13-6-5-7-16-14(13)11-19-10-12(2)18-15(19)17-8-9-20-3/h5-7,10H,4,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106578970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).