4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide

C12H18N2O2 — CID 43267729

IUPAC4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C12H18N2O2/c1-2-3-8-16-9-10-4-6-11(7-5-10)12(13)14-15/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14)
InChIKeyVBERRAOLEWUTGJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds6

About 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide

4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 43267729) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID43267729
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C12H18N2O2/c1-2-3-8-16-9-10-4-6-11(7-5-10)12(13)14-15/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14)
InChIKeyVBERRAOLEWUTGJ-UHFFFAOYSA-N
XLogP2.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
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

4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031227
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
N'-hydroxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 82788437
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43128365
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283917
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide (CID 43267729) is 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide is CCCCOCc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is VBERRAOLEWUTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-8-16-9-10-4-6-11(7-5-10)12(13)14-15/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14).
What are the key properties of 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide?
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 222.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43267729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).