2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide

C11H16N2OS — CID 65494634

IUPAC2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COCc2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c12-10(13)6-11(3-4-11)8-14-7-9-2-1-5-15-9/h1-2,5H,3-4,6-8H2,(H3,12,13)
InChIKeyAJCADCFANQAWBY-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.37
Rot. Bonds6

About 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide

2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide (PubChem CID 65494634) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide
PubChem CID65494634
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COCc2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c12-10(13)6-11(3-4-11)8-14-7-9-2-1-5-15-9/h1-2,5H,3-4,6-8H2,(H3,12,13)
InChIKeyAJCADCFANQAWBY-UHFFFAOYSA-N
XLogP2.37
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanamine
CID 65495835
2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene
CID 65007480
2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid
CID 65497413
3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
CID 54966719
2-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 24710159
2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide
CID 65492550
4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63880687
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
2-(ethoxymethyl)thiophene
CID 12699283
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
CID 79476605
6-(thiophen-2-ylmethoxy)pyridine-2-carboximidamide
CID 64593634
2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile
CID 65494698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide (CID 65494634) is 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(COCc2cccs2)CC1.
What is the InChIKey of 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide?
The InChIKey is AJCADCFANQAWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-10(13)6-11(3-4-11)8-14-7-9-2-1-5-15-9/h1-2,5H,3-4,6-8H2,(H3,12,13).
What are the key properties of 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide?
2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide has a molecular weight of 224.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 65494634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).