2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide

C9H18N2O — CID 65492550

IUPAC2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COC(C)C)CC1
InChIInChI=1S/C9H18N2O/c1-7(2)12-6-9(3-4-9)5-8(10)11/h7H,3-6H2,1-2H3,(H3,10,11)
InChIKeyBRQDZOVGBBAQFF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.52
Rot. Bonds5

About 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide

2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide (PubChem CID 65492550) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide
PubChem CID65492550
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COC(C)C)CC1
InChIInChI=1S/C9H18N2O/c1-7(2)12-6-9(3-4-9)5-8(10)11/h7H,3-6H2,1-2H3,(H3,10,11)
InChIKeyBRQDZOVGBBAQFF-UHFFFAOYSA-N
XLogP1.52
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide (CID 65492550) is 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(COC(C)C)CC1.
What is the InChIKey of 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide?
The InChIKey is BRQDZOVGBBAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)12-6-9(3-4-9)5-8(10)11/h7H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide?
2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).