2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide

C15H24ClN3O — CID 76997753

IUPAC2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESCCCCN(c1cc(Cl)ccc1C(N)=NO)C(C)CC
InChIInChI=1S/C15H24ClN3O/c1-4-6-9-19(11(3)5-2)14-10-12(16)7-8-13(14)15(17)18-20/h7-8,10-11,20H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyASAFSIBJBRZOHE-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.84
Rot. Bonds7

About 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide

2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 76997753) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID76997753
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESCCCCN(c1cc(Cl)ccc1C(N)=NO)C(C)CC
InChIInChI=1S/C15H24ClN3O/c1-4-6-9-19(11(3)5-2)14-10-12(16)7-8-13(14)15(17)18-20/h7-8,10-11,20H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyASAFSIBJBRZOHE-UHFFFAOYSA-N
XLogP3.84
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.84
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-[butan-2-yl(butyl)amino]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76997736
4-bromo-2-[butan-2-yl(butyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114903993
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 76984936
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
CID 76984850
4-chloro-2-[1-(dimethylamino)propan-2-yl-ethylamino]-N'-hydroxybenzenecarboximidamide
CID 103189143
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76984760
4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76985058
2-[butan-2-yl(butyl)amino]-5-chlorobenzonitrile
CID 63511484
5-chloro-N'-hydroxy-2-[2-methylpropyl(pentan-3-yl)amino]benzenecarboximidamide
CID 79490935
4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 76985005
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide (CID 76997753) is 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide is CCCCN(c1cc(Cl)ccc1C(N)=NO)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ASAFSIBJBRZOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-6-9-19(11(3)5-2)14-10-12(16)7-8-13(14)15(17)18-20/h7-8,10-11,20H,4-6,9H2,1-3H3,(H2,17,18).
What are the key properties of 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide?
2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 297.83 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(butyl)amino]-4-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76997753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).