2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

C15H23N3O — CID 76938790

IUPAC2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N(C)C2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-11-8-9-13(15(16)17-19)14(10-11)18(2)12-6-4-3-5-7-12/h8-10,12,19H,3-7H2,1-2H3,(H2,16,17)
InChIKeyNNYWGPLWTDNXJC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.86
Rot. Bonds3

About 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 76938790) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID76938790
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N(C)C2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-11-8-9-13(15(16)17-19)14(10-11)18(2)12-6-4-3-5-7-12/h8-10,12,19H,3-7H2,1-2H3,(H2,16,17)
InChIKeyNNYWGPLWTDNXJC-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'}

Analyze 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55154718
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929848
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
CID 62702673
5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892387
N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine
CID 114016631

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 76938790) is 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NO)c(N(C)C2CCCCC2)c1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is NNYWGPLWTDNXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-9-13(15(16)17-19)14(10-11)18(2)12-6-4-3-5-7-12/h8-10,12,19H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-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-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76938790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).