N'-butyl-N-hydroxybenzenecarboximidamide

C11H16N2O — CID 12936228

IUPACN'-butyl-N-hydroxybenzenecarboximidamide
SMILESCCCC/N=C(\NO)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-2-3-9-12-11(13-14)10-7-5-4-6-8-10/h4-8,14H,2-3,9H2,1H3,(H,12,13)
InChIKeyRXAXYDIHFXRRHE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.21
Rot. Bonds4

About N'-butyl-N-hydroxybenzenecarboximidamide

N'-butyl-N-hydroxybenzenecarboximidamide (PubChem CID 12936228) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N'-butyl-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-butyl-N-hydroxybenzenecarboximidamide
PubChem CID12936228
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN'-butyl-N-hydroxybenzenecarboximidamide
SMILESCCCC/N=C(\NO)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-2-3-9-12-11(13-14)10-7-5-4-6-8-10/h4-8,14H,2-3,9H2,1H3,(H,12,13)
InChIKeyRXAXYDIHFXRRHE-UHFFFAOYSA-N
XLogP2.21
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
CID 15406489
N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
CID 155517993
bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium
CID 11433968
N'-butyl-N-hydroxy-1,3-benzodioxole-5-carboximidamide
CID 118060240
N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
CID 3787959
ethyl N-butylbenzenecarboximidate
CID 19093178
N'-(cyanomethyl)-N-hydroxybenzenecarboximidamide
CID 130740122
N-hexadecyl-1-phenylethanimine
CID 102417154
2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine
CID 11000397
N,N'-dibutyl-N-hydroxybenzenecarboximidamide
CID 87477851
N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide
CID 3425755

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-hydroxybenzenecarboximidamide?
The IUPAC name of N'-butyl-N-hydroxybenzenecarboximidamide (CID 12936228) is N'-butyl-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-butyl-N-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-butyl-N-hydroxybenzenecarboximidamide is CCCC/N=C(\NO)c1ccccc1.
What is the InChIKey of N'-butyl-N-hydroxybenzenecarboximidamide?
The InChIKey is RXAXYDIHFXRRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-9-12-11(13-14)10-7-5-4-6-8-10/h4-8,14H,2-3,9H2,1H3,(H,12,13).
What are the key properties of N'-butyl-N-hydroxybenzenecarboximidamide?
N'-butyl-N-hydroxybenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 12936228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).