3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide

C16H24ClN3O — CID 76997661

IUPAC3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCC(N(C)c2ccc(C(N)=NO)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-11-4-7-13(8-5-11)20(2)15-9-6-12(10-14(15)17)16(18)19-21/h6,9-11,13,21H,3-5,7-8H2,1-2H3,(H2,18,19)
InChIKeyBYKQFYUUILDWFP-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.84
Rot. Bonds4

About 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76997661) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID76997661
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCC(N(C)c2ccc(C(N)=NO)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-11-4-7-13(8-5-11)20(2)15-9-6-12(10-14(15)17)16(18)19-21/h6,9-11,13,21H,3-5,7-8H2,1-2H3,(H2,18,19)
InChIKeyBYKQFYUUILDWFP-UHFFFAOYSA-N
XLogP3.84
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
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

3-chloro-4-[(4-ethylcyclohexyl)-methylamino]benzoic acid
CID 63512605
3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632381
3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984358
3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984188
3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398942
3-chloro-N'-hydroxy-4-[(3-hydroxycyclobutyl)methyl-methylamino]benzenecarboximidamide
CID 77108514
3-chloro-4-[cyclopentyl(methyl)amino]benzenecarbothioamide
CID 63087274
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250
4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
CID 61448650
3-chloro-4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666807
3-chloro-N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 114230237
3-chloro-N'-hydroxy-4-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzenecarboximidamide
CID 113475743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide (CID 76997661) is 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide is CCC1CCC(N(C)c2ccc(C(N)=NO)cc2Cl)CC1.
What is the InChIKey of 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is BYKQFYUUILDWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-11-4-7-13(8-5-11)20(2)15-9-6-12(10-14(15)17)16(18)19-21/h6,9-11,13,21H,3-5,7-8H2,1-2H3,(H2,18,19).
What are the key properties of 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 309.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76997661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).