2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide

C16H25N3O2 — CID 107929848

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N(CCO)C2CCCCC2)c(/C(N)=N/O)c1
InChIInChI=1S/C16H25N3O2/c1-12-7-8-15(14(11-12)16(17)18-21)19(9-10-20)13-5-3-2-4-6-13/h7-8,11,13,20-21H,2-6,9-10H2,1H3,(H2,17,18)
InChIKeyHDWNXPXXMGQTGJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.22
Rot. Bonds5

About 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide

2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107929848) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107929848
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N(CCO)C2CCCCC2)c(/C(N)=N/O)c1
InChIInChI=1S/C16H25N3O2/c1-12-7-8-15(14(11-12)16(17)18-21)19(9-10-20)13-5-3-2-4-6-13/h7-8,11,13,20-21H,2-6,9-10H2,1H3,(H2,17,18)
InChIKeyHDWNXPXXMGQTGJ-UHFFFAOYSA-N
XLogP2.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929868
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54994907
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021
N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107929847
2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79517334
2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63672687
5-bromo-2-[cyclopentyl(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892619
2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
CID 114055126
3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984188

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107929848) is 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(N(CCO)C2CCCCC2)c(/C(N)=N/O)c1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is HDWNXPXXMGQTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-7-8-15(14(11-12)16(17)18-21)19(9-10-20)13-5-3-2-4-6-13/h7-8,11,13,20-21H,2-6,9-10H2,1H3,(H2,17,18).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107929848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).