2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide

C14H22ClN3O — CID 79477944

IUPAC2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)CN(CC)c1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-4-10(3)9-18(5-2)11-6-7-12(13(15)8-11)14(16)17-19/h6-8,10,19H,4-5,9H2,1-3H3,(H2,16,17)
InChIKeyDNXPJVJBMMTAQA-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.31
Rot. Bonds6

About 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide

2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 79477944) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID79477944
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)CN(CC)c1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-4-10(3)9-18(5-2)11-6-7-12(13(15)8-11)14(16)17-19/h6-8,10,19H,4-5,9H2,1-3H3,(H2,16,17)
InChIKeyDNXPJVJBMMTAQA-UHFFFAOYSA-N
XLogP3.31
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.31
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-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79387458
2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
CID 76997817
2-chloro-N'-hydroxy-4-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 55152824
2-chloro-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552150
4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981473
4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981602
2-chloro-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55154718
2-bromo-4-[ethyl(2-methylbutyl)amino]benzoic acid
CID 107282175
2-[ethyl(2-methylbutyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519700
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide
CID 107278596

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide (CID 79477944) is 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide is CCC(C)CN(CC)c1ccc(C(N)=NO)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is DNXPJVJBMMTAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-10(3)9-18(5-2)11-6-7-12(13(15)8-11)14(16)17-19/h6-8,10,19H,4-5,9H2,1-3H3,(H2,16,17).
What are the key properties of 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide?
2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 283.80 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).