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

C13H24N2O3 — CID 77070839

IUPACN'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
SMILESCOC1CCCC(OCC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C13H24N2O3/c1-17-10-3-2-4-11(7-10)18-9-13(5-6-13)8-12(14)15-16/h10-11,16H,2-9H2,1H3,(H2,14,15)
InChIKeyUCHQRTSRHCJJPL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds6

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

N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide (PubChem CID 77070839) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
PubChem CID77070839
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
SMILESCOC1CCCC(OCC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C13H24N2O3/c1-17-10-3-2-4-11(7-10)18-9-13(5-6-13)8-12(14)15-16/h10-11,16H,2-9H2,1H3,(H2,14,15)
InChIKeyUCHQRTSRHCJJPL-UHFFFAOYSA-N
XLogP1.88
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide (CID 77070839) is N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide is COC1CCCC(OCC2(CC(N)=NO)CC2)C1.
What is the InChIKey of N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide?
The InChIKey is UCHQRTSRHCJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-17-10-3-2-4-11(7-10)18-9-13(5-6-13)8-12(14)15-16/h10-11,16H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide has a molecular weight of 256.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77070839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).