N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide

C15H23N3O2 — CID 77056304

IUPACN'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CNCC2(O)CCCCC2)cc1
InChIInChI=1S/C15H23N3O2/c16-14(18-20)13-6-4-12(5-7-13)10-17-11-15(19)8-2-1-3-9-15/h4-7,17,19-20H,1-3,8-11H2,(H2,16,18)
InChIKeyOXDSBTJOUIHABN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.57
Rot. Bonds5

About N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide

N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide (PubChem CID 77056304) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
PubChem CID77056304
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CNCC2(O)CCCCC2)cc1
InChIInChI=1S/C15H23N3O2/c16-14(18-20)13-6-4-12(5-7-13)10-17-11-15(19)8-2-1-3-9-15/h4-7,17,19-20H,1-3,8-11H2,(H2,16,18)
InChIKeyOXDSBTJOUIHABN-UHFFFAOYSA-N
XLogP1.57
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.57
H-Bond Donors ≤ 54
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

3-chloro-N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 102667284
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
N'-hydroxy-4-[2-[(1-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
CID 77056371
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106828692
N'-hydroxy-3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]benzenecarboximidamide
CID 81130732
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
CID 111114516
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide
CID 77056758

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide (CID 77056304) is N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide is NC(=NO)c1ccc(CNCC2(O)CCCCC2)cc1.
What is the InChIKey of N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is OXDSBTJOUIHABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-14(18-20)13-6-4-12(5-7-13)10-17-11-15(19)8-2-1-3-9-15/h4-7,17,19-20H,1-3,8-11H2,(H2,16,18).
What are the key properties of N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77056304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).