N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide

C14H22N2O2 — CID 103283917

IUPACN'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
SMILESCCCC(C)COCc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-11(2)9-18-10-12-5-7-13(8-6-12)14(15)16-17/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16)
InChIKeyOVNJCZSHRVTTIO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.73
Rot. Bonds7

About N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide

N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide (PubChem CID 103283917) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
PubChem CID103283917
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
SMILESCCCC(C)COCc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-11(2)9-18-10-12-5-7-13(8-6-12)14(15)16-17/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16)
InChIKeyOVNJCZSHRVTTIO-UHFFFAOYSA-N
XLogP2.73
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.73
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

3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283920
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
1-iodo-4-(2-methylpentoxymethyl)benzene
CID 103284629
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 77068937
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
3,5-difluoro-N'-hydroxy-4-(2-methylpentoxy)benzenecarboximidamide
CID 103283904
4-[(1-ethoxypropan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032610
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629
2-methyl-N-[2-[4-(2-methylpentoxymethyl)phenyl]ethyl]propan-1-amine
CID 103285685

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide (CID 103283917) is N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide is CCCC(C)COCc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide?
The InChIKey is OVNJCZSHRVTTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-11(2)9-18-10-12-5-7-13(8-6-12)14(15)16-17/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide?
N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide has a molecular weight of 250.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 103283917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).