2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide

C12H22N2O — CID 65493378

IUPAC2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COC2CCCCC2)CC1
InChIInChI=1S/C12H22N2O/c13-11(14)8-12(6-7-12)9-15-10-4-2-1-3-5-10/h10H,1-9H2,(H3,13,14)
InChIKeySXXMDMZADZELAD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.44
Rot. Bonds5

About 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide

2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide (PubChem CID 65493378) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide
PubChem CID65493378
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COC2CCCCC2)CC1
InChIInChI=1S/C12H22N2O/c13-11(14)8-12(6-7-12)9-15-10-4-2-1-3-5-10/h10H,1-9H2,(H3,13,14)
InChIKeySXXMDMZADZELAD-UHFFFAOYSA-N
XLogP2.44
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.44
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-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide (CID 65493378) is 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(COC2CCCCC2)CC1.
What is the InChIKey of 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide?
The InChIKey is SXXMDMZADZELAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-11(14)8-12(6-7-12)9-15-10-4-2-1-3-5-10/h10H,1-9H2,(H3,13,14).
What are the key properties of 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide?
2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide has a molecular weight of 210.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexyloxymethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).