2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide

C12H19N3O — CID 76938914

IUPAC2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCCN(CC)c1cc(C)ccc1C(N)=NO
InChIInChI=1S/C12H19N3O/c1-4-15(5-2)11-8-9(3)6-7-10(11)12(13)14-16/h6-8,16H,4-5H2,1-3H3,(H2,13,14)
InChIKeyNTOACLRSULMMIT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds4

About 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide

2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 76938914) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID76938914
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCCN(CC)c1cc(C)ccc1C(N)=NO
InChIInChI=1S/C12H19N3O/c1-4-15(5-2)11-8-9(3)6-7-10(11)12(13)14-16/h6-8,16H,4-5H2,1-3H3,(H2,13,14)
InChIKeyNTOACLRSULMMIT-UHFFFAOYSA-N
XLogP1.94
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
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

2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929726
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822
4-bromo-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114904105
N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070455
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide (CID 76938914) is 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide is CCN(CC)c1cc(C)ccc1C(N)=NO.
What is the InChIKey of 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is NTOACLRSULMMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-15(5-2)11-8-9(3)6-7-10(11)12(13)14-16/h6-8,16H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide?
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 221.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76938914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).