2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide

C10H14N4O3 — CID 55037200

IUPAC2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
SMILESCCN(C)c1ccc([N+](=O)[O-])cc1/C(N)=N/O
InChIInChI=1S/C10H14N4O3/c1-3-13(2)9-5-4-7(14(16)17)6-8(9)10(11)12-15/h4-6,15H,3H2,1-2H3,(H2,11,12)
InChIKeyLIDCCXFLKAZHHJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.15
Rot. Bonds4

About 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide

2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide (PubChem CID 55037200) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
PubChem CID55037200
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
SMILESCCN(C)c1ccc([N+](=O)[O-])cc1/C(N)=N/O
InChIInChI=1S/C10H14N4O3/c1-3-13(2)9-5-4-7(14(16)17)6-8(9)10(11)12-15/h4-6,15H,3H2,1-2H3,(H2,11,12)
InChIKeyLIDCCXFLKAZHHJ-UHFFFAOYSA-N
XLogP1.15
TPSA104.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76950933
2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 77017432
N'-hydroxy-2-[2-hydroxyethyl(propan-2-yl)amino]-5-nitrobenzenecarboximidamide
CID 76935040
N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]-5-nitrobenzenecarboximidamide
CID 76935068
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76935010
2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 25418108
N'-hydroxy-5-nitro-2-propylsulfanylbenzenecarboximidamide
CID 76935073
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-nitrobenzenecarboximidamide
CID 55037385
N'-hydroxy-2-(2-methylbutan-2-yloxy)-5-nitrobenzenecarboximidamide
CID 76935214
N'-hydroxy-2-(2-methylpropylsulfanyl)-5-nitrobenzenecarboximidamide
CID 76935104
2-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76986788

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide (CID 55037200) is 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide is CCN(C)c1ccc([N+](=O)[O-])cc1/C(N)=N/O.
What is the InChIKey of 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide?
The InChIKey is LIDCCXFLKAZHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-3-13(2)9-5-4-7(14(16)17)6-8(9)10(11)12-15/h4-6,15H,3H2,1-2H3,(H2,11,12).
What are the key properties of 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide?
2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide has a molecular weight of 238.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide is sourced from PubChem (CID 55037200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).