N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide

C16H25N3O — CID 76904281

IUPACN'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCC1CCCC(N(C)Cc2ccccc2C(N)=NO)C1
InChIInChI=1S/C16H25N3O/c1-12-6-5-8-14(10-12)19(2)11-13-7-3-4-9-15(13)16(17)18-20/h3-4,7,9,12,14,20H,5-6,8,10-11H2,1-2H3,(H2,17,18)
InChIKeyKMEHNBNWGSTIGI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.79
Rot. Bonds4

About N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide (PubChem CID 76904281) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
PubChem CID76904281
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCC1CCCC(N(C)Cc2ccccc2C(N)=NO)C1
InChIInChI=1S/C16H25N3O/c1-12-6-5-8-14(10-12)19(2)11-13-7-3-4-9-15(13)16(17)18-20/h3-4,7,9,12,14,20H,5-6,8,10-11H2,1-2H3,(H2,17,18)
InChIKeyKMEHNBNWGSTIGI-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

2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 61448079
3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904288
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
CID 61444227
2-fluoro-N'-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]benzenecarboximidamide
CID 107116437
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191
2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77022698
N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 61446172
N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76951557
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76929854

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide (CID 76904281) is N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide is CC1CCCC(N(C)Cc2ccccc2C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The InChIKey is KMEHNBNWGSTIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-5-8-14(10-12)19(2)11-13-7-3-4-9-15(13)16(17)18-20/h3-4,7,9,12,14,20H,5-6,8,10-11H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[methyl-(3-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-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 76904281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).