N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide

C16H25N3O2 — CID 77065974

IUPACN'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCOc1ccc(CNC2(C)CCCCC2)cc1C(N)=NO
InChIInChI=1S/C16H25N3O2/c1-16(8-4-3-5-9-16)18-11-12-6-7-14(21-2)13(10-12)15(17)19-20/h6-7,10,18,20H,3-5,8-9,11H2,1-2H3,(H2,17,19)
InChIKeyRGXUUGVQUGBVKG-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.60
Rot. Bonds5

About N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide (PubChem CID 77065974) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide
PubChem CID77065974
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCOc1ccc(CNC2(C)CCCCC2)cc1C(N)=NO
InChIInChI=1S/C16H25N3O2/c1-16(8-4-3-5-9-16)18-11-12-6-7-14(21-2)13(10-12)15(17)19-20/h6-7,10,18,20H,3-5,8-9,11H2,1-2H3,(H2,17,19)
InChIKeyRGXUUGVQUGBVKG-UHFFFAOYSA-N
XLogP2.60
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.60
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

5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365376
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopentan-1-amine
CID 61365354
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
N'-hydroxy-5-[(3-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065859
N'-hydroxy-5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxybenzenecarboximidamide
CID 77065968
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]propanamide
CID 77065797
N'-hydroxy-2-methoxy-5-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 65340181
N'-hydroxy-2-methoxy-5-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77066155
5-[(3-ethoxypropylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065815
N'-hydroxy-5-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065806

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide (CID 77065974) is N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide is COc1ccc(CNC2(C)CCCCC2)cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The InChIKey is RGXUUGVQUGBVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(8-4-3-5-9-16)18-11-12-6-7-14(21-2)13(10-12)15(17)19-20/h6-7,10,18,20H,3-5,8-9,11H2,1-2H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide has a molecular weight of 291.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77065974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).