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

C14H20N2O2 — CID 77071325

IUPACN'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide
SMILESCC(OCC1(CC(N)=NO)CC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)18-10-14(7-8-14)9-13(15)16-17/h2-6,11,17H,7-10H2,1H3,(H2,15,16)
InChIKeySLNDDCMHZNCJED-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.68
Rot. Bonds6

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

N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide (PubChem CID 77071325) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide
PubChem CID77071325
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide
SMILESCC(OCC1(CC(N)=NO)CC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)18-10-14(7-8-14)9-13(15)16-17/h2-6,11,17H,7-10H2,1H3,(H2,15,16)
InChIKeySLNDDCMHZNCJED-UHFFFAOYSA-N
XLogP2.68
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.68
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[1-[[[(1S)-1-phenylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 79009132
1-[[1-(bromomethyl)cyclohexyl]methoxy]ethylbenzene
CID 65001891
N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide
CID 77071143
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
CID 77070663
N'-hydroxy-2-[1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070820
N'-hydroxy-2-[1-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 81355976
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
N'-hydroxy-2-[1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 81408624
2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 82824129
2-[1-[(4-bromo-3,5-dimethylphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107724638
N'-hydroxy-2-[1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 106261536

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide (CID 77071325) is N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide is CC(OCC1(CC(N)=NO)CC1)c1ccccc1.
What is the InChIKey of N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide?
The InChIKey is SLNDDCMHZNCJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)18-10-14(7-8-14)9-13(15)16-17/h2-6,11,17H,7-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide has a molecular weight of 248.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-(1-phenylethoxymethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).