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

C14H22N2O2 — CID 43128393

IUPACN'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide
SMILESCC(C)CCCOCc1ccccc1/C(N)=N/O
InChIInChI=1S/C14H22N2O2/c1-11(2)6-5-9-18-10-12-7-3-4-8-13(12)14(15)16-17/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H2,15,16)
InChIKeyHFVHIFANHWZEFD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.73
Rot. Bonds7

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

N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide (PubChem CID 43128393) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide
PubChem CID43128393
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide
SMILESCC(C)CCCOCc1ccccc1/C(N)=N/O
InChIInChI=1S/C14H22N2O2/c1-11(2)6-5-9-18-10-12-7-3-4-8-13(12)14(15)16-17/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H2,15,16)
InChIKeyHFVHIFANHWZEFD-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': '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-(3-methylbutoxymethyl)benzenecarbothioamide
CID 24709954
N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide
CID 114483258
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
CID 43128379
N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
CID 77066162
2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
CID 107117708
2-fluoro-3-(4-methylpentoxymethyl)aniline
CID 107347911
N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 61287384
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
2-[(heptan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031931
2-bromo-3-fluoro-N'-hydroxy-4-(4-methylpentoxy)benzenecarboximidamide
CID 107536164
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide (CID 43128393) is N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide is CC(C)CCCOCc1ccccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide?
The InChIKey is HFVHIFANHWZEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)6-5-9-18-10-12-7-3-4-8-13(12)14(15)16-17/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide?
N'-hydroxy-2-(4-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-2-(4-methylpentoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 43128393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).