N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide

C14H20N2O2 — CID 87415926

IUPACN'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide
SMILESCOCC1(c2ccc(/C(N)=N/O)cc2)CCCC1
InChIInChI=1S/C14H20N2O2/c1-18-10-14(8-2-3-9-14)12-6-4-11(5-7-12)13(15)16-17/h4-7,17H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyDXEKMUDJYOVVHS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.24
Rot. Bonds4

About N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide

N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide (PubChem CID 87415926) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide
PubChem CID87415926
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide
SMILESCOCC1(c2ccc(/C(N)=N/O)cc2)CCCC1
InChIInChI=1S/C14H20N2O2/c1-18-10-14(8-2-3-9-14)12-6-4-11(5-7-12)13(15)16-17/h4-7,17H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyDXEKMUDJYOVVHS-UHFFFAOYSA-N
XLogP2.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.24
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

2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide
CID 91205312
4-[1-(methoxymethyl)cyclopentyl]benzonitrile
CID 67480439
N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide
CID 58538550
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
CID 123885865
CID 123885865
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-4-(3-hydroxyoxetan-3-yl)benzenecarboximidamide
CID 58538631
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
CID 61277576
ethyl 4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]oxane-4-carboxylate
CID 58538522
N'-hydroxy-4-[2-[(1-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
CID 77056371
methyl 4-(N'-hydroxycarbamimidoyl)benzoate
CID 6815810

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide (CID 87415926) is N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide is COCC1(c2ccc(/C(N)=N/O)cc2)CCCC1.
What is the InChIKey of N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide?
The InChIKey is DXEKMUDJYOVVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-10-14(8-2-3-9-14)12-6-4-11(5-7-12)13(15)16-17/h4-7,17H,2-3,8-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide?
N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide has a molecular weight of 248.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide is sourced from PubChem (CID 87415926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).