N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide

C16H25N3O — CID 76904120

IUPACN'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCC1CCC(N(C)Cc2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-12-3-9-15(10-4-12)19(2)11-13-5-7-14(8-6-13)16(17)18-20/h5-8,12,15,20H,3-4,9-11H2,1-2H3,(H2,17,18)
InChIKeyXJEZFGRCSPFQPZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.79
Rot. Bonds4

About N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide (PubChem CID 76904120) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide
PubChem CID76904120
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCC1CCC(N(C)Cc2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-12-3-9-15(10-4-12)19(2)11-13-5-7-14(8-6-13)16(17)18-20/h5-8,12,15,20H,3-4,9-11H2,1-2H3,(H2,17,18)
InChIKeyXJEZFGRCSPFQPZ-UHFFFAOYSA-N
XLogP2.79
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.79
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

N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 24703247
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 61436967
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
4-[[cyclohexylmethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904274
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 54999768
N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide
CID 77028502
4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 43188242

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide (CID 76904120) is N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide is CC1CCC(N(C)Cc2ccc(C(N)=NO)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The InChIKey is XJEZFGRCSPFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-3-9-15(10-4-12)19(2)11-13-5-7-14(8-6-13)16(17)18-20/h5-8,12,15,20H,3-4,9-11H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 76904120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).