N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide

C11H22N2O4 — CID 113426971

IUPACN'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide
SMILESCOCCOCCOCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H22N2O4/c1-15-4-5-16-6-7-17-9-11(2-3-11)8-10(12)13-14/h14H,2-9H2,1H3,(H2,12,13)
InChIKeyRCNOEULFJSTNOT-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.58
Rot. Bonds10

About N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide (PubChem CID 113426971) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide
PubChem CID113426971
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide
SMILESCOCCOCCOCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H22N2O4/c1-15-4-5-16-6-7-17-9-11(2-3-11)8-10(12)13-14/h14H,2-9H2,1H3,(H2,12,13)
InChIKeyRCNOEULFJSTNOT-UHFFFAOYSA-N
XLogP0.58
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77124832
N'-hydroxy-2-[1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071263
N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
CID 82943580
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile
CID 113426894
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071343
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 82824129
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070818
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
2-[1-[(4-bromo-3,5-dimethylphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107724638
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide (CID 113426971) is N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide is COCCOCCOCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide?
The InChIKey is RCNOEULFJSTNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-15-4-5-16-6-7-17-9-11(2-3-11)8-10(12)13-14/h14H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide has a molecular weight of 246.31 g/mol, XLogP of 0.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 113426971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).