2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide

C13H24N2O2 — CID 65492162

IUPAC2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COC2CCCC(OC)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-16-10-3-2-4-11(7-10)17-9-13(5-6-13)8-12(14)15/h10-11H,2-9H2,1H3,(H3,14,15)
InChIKeyZUFCDECPOYMOAH-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide

2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide (PubChem CID 65492162) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
PubChem CID65492162
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(COC2CCCC(OC)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-16-10-3-2-4-11(7-10)17-9-13(5-6-13)8-12(14)15/h10-11H,2-9H2,1H3,(H3,14,15)
InChIKeyZUFCDECPOYMOAH-UHFFFAOYSA-N
XLogP2.07
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide (CID 65492162) is 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(COC2CCCC(OC)C2)CC1.
What is the InChIKey of 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide?
The InChIKey is ZUFCDECPOYMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-16-10-3-2-4-11(7-10)17-9-13(5-6-13)8-12(14)15/h10-11H,2-9H2,1H3,(H3,14,15).
What are the key properties of 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide?
2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide has a molecular weight of 240.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).