3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine

C11H19N3O — CID 112553123

IUPAC3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2nccn2C)C1
InChIInChI=1S/C11H19N3O/c1-3-15-10-6-9(7-10)13-8-11-12-4-5-14(11)2/h4-5,9-10,13H,3,6-8H2,1-2H3
InChIKeyZNCIJHFOQPDQBP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.08
Rot. Bonds5

About 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine

3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 112553123) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID112553123
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2nccn2C)C1
InChIInChI=1S/C11H19N3O/c1-3-15-10-6-9(7-10)13-8-11-12-4-5-14(11)2/h4-5,9-10,13H,3,6-8H2,1-2H3
InChIKeyZNCIJHFOQPDQBP-UHFFFAOYSA-N
XLogP1.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 113364995
3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 65169925
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 103920990
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664709
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine
CID 115903723
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60695151
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine (CID 112553123) is 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2nccn2C)C1.
What is the InChIKey of 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is ZNCIJHFOQPDQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-15-10-6-9(7-10)13-8-11-12-4-5-14(11)2/h4-5,9-10,13H,3,6-8H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 112553123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).