2-butyl-N'-hydroxybenzenecarboximidamide

C11H16N2O — CID 141269238

IUPAC2-butyl-N'-hydroxybenzenecarboximidamide
SMILESCCCCc1ccccc1C(N)=NO
InChIInChI=1S/C11H16N2O/c1-2-3-6-9-7-4-5-8-10(9)11(12)13-14/h4-5,7-8,14H,2-3,6H2,1H3,(H2,12,13)
InChIKeyPAEVCTJXZXFIJQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.12
Rot. Bonds4

About 2-butyl-N'-hydroxybenzenecarboximidamide

2-butyl-N'-hydroxybenzenecarboximidamide (PubChem CID 141269238) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-butyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-butyl-N'-hydroxybenzenecarboximidamide
PubChem CID141269238
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-butyl-N'-hydroxybenzenecarboximidamide
SMILESCCCCc1ccccc1C(N)=NO
InChIInChI=1S/C11H16N2O/c1-2-3-6-9-7-4-5-8-10(9)11(12)13-14/h4-5,7-8,14H,2-3,6H2,1H3,(H2,12,13)
InChIKeyPAEVCTJXZXFIJQ-UHFFFAOYSA-N
XLogP2.12
TPSA58.61 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2-(butylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide
CID 43615814
2-butylbenzamide
CID 15468173
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine
CID 86160120
2-[(heptan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031931
2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 115492682
2-octylbenzamide
CID 11148995
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
azane;2-butylbenzoic acid
CID 174819524

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-butyl-N'-hydroxybenzenecarboximidamide (CID 141269238) is 2-butyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-butyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-butyl-N'-hydroxybenzenecarboximidamide is CCCCc1ccccc1C(N)=NO.
What is the InChIKey of 2-butyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is PAEVCTJXZXFIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-6-9-7-4-5-8-10(9)11(12)13-14/h4-5,7-8,14H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of 2-butyl-N'-hydroxybenzenecarboximidamide?
2-butyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 141269238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).