N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide

C17H27N3O — CID 77028502

IUPACN'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide
SMILESCC1CCC(CCNCc2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-13-2-4-14(5-3-13)10-11-19-12-15-6-8-16(9-7-15)17(18)20-21/h6-9,13-14,19,21H,2-5,10-12H2,1H3,(H2,18,20)
InChIKeyJGMYOKNVDWQZNH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.09
Rot. Bonds6

About N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide

N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide (PubChem CID 77028502) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide
PubChem CID77028502
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide
SMILESCC1CCC(CCNCc2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-13-2-4-14(5-3-13)10-11-19-12-15-6-8-16(9-7-15)17(18)20-21/h6-9,13-14,19,21H,2-5,10-12H2,1H3,(H2,18,20)
InChIKeyJGMYOKNVDWQZNH-UHFFFAOYSA-N
XLogP3.09
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031227
N'-hydroxy-4-[(3-methylbutylamino)methyl]benzenecarboximidamide
CID 77025588
N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
CID 79401252
4-[[3-(dimethylamino)propylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029990
N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904120
4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026385
N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide
CID 77032157
N-[(1-ethylpyrrol-3-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66415588
N'-hydroxy-4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]benzenecarboximidamide
CID 113478920
N'-hydroxy-4-[(pent-4-ynylamino)methyl]benzenecarboximidamide
CID 106222313
4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025574

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide (CID 77028502) is N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide is CC1CCC(CCNCc2ccc(C(N)=NO)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide?
The InChIKey is JGMYOKNVDWQZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-2-4-14(5-3-13)10-11-19-12-15-6-8-16(9-7-15)17(18)20-21/h6-9,13-14,19,21H,2-5,10-12H2,1H3,(H2,18,20).
What are the key properties of N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide has a molecular weight of 289.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77028502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).