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

C12H21N3O2 — CID 113364995

IUPAC3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2nccn2C)C1OC
InChIInChI=1S/C12H21N3O2/c1-4-17-10-7-9(12(10)16-3)14-8-11-13-5-6-15(11)2/h5-6,9-10,12,14H,4,7-8H2,1-3H3
InChIKeyKCVJCIDCMFJSCW-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.70
Rot. Bonds6

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

3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 113364995) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID113364995
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2nccn2C)C1OC
InChIInChI=1S/C12H21N3O2/c1-4-17-10-7-9(12(10)16-3)14-8-11-13-5-6-15(11)2/h5-6,9-10,12,14H,4,7-8H2,1-3H3
InChIKeyKCVJCIDCMFJSCW-UHFFFAOYSA-N
XLogP0.70
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine (CID 113364995) is 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2nccn2C)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is KCVJCIDCMFJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-17-10-7-9(12(10)16-3)14-8-11-13-5-6-15(11)2/h5-6,9-10,12,14H,4,7-8H2,1-3H3.
What are the key properties of 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 113364995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).