2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide

C15H23N3O — CID 107109104

IUPAC2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N(C)C1CCCCC1
InChIInChI=1S/C15H23N3O/c1-11-7-6-10-13(15(16)17-19)14(11)18(2)12-8-4-3-5-9-12/h6-7,10,12,19H,3-5,8-9H2,1-2H3,(H2,16,17)
InChIKeyHSZHXWVPXWAIHW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.86
Rot. Bonds3

About 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide

2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109104) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109104
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N(C)C1CCCCC1
InChIInChI=1S/C15H23N3O/c1-11-7-6-10-13(15(16)17-19)14(11)18(2)12-8-4-3-5-9-12/h6-7,10,12,19H,3-5,8-9H2,1-2H3,(H2,16,17)
InChIKeyHSZHXWVPXWAIHW-UHFFFAOYSA-N
XLogP2.86
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.86
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-[cyclopentyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107107840
2-[cyclobutyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107108606
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
2-(aminomethyl)-N-cyclohexyl-N,6-dimethylaniline
CID 107105472
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109419
N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107109142
2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55154718
N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107109273

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109104) is 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1N(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is HSZHXWVPXWAIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-7-6-10-13(15(16)17-19)14(11)18(2)12-8-4-3-5-9-12/h6-7,10,12,19H,3-5,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide?
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).