N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide

C16H25N3O2 — CID 106136351

IUPACN'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNCC1CCCC(O)C1
InChIInChI=1S/C16H25N3O2/c1-11-7-13(16(17)19-21)5-6-14(11)10-18-9-12-3-2-4-15(20)8-12/h5-7,12,15,18,20-21H,2-4,8-10H2,1H3,(H2,17,19)
InChIKeyZOOVSRUUZYQADN-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.73
Rot. Bonds5

About N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide

N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 106136351) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide
PubChem CID106136351
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNCC1CCCC(O)C1
InChIInChI=1S/C16H25N3O2/c1-11-7-13(16(17)19-21)5-6-14(11)10-18-9-12-3-2-4-15(20)8-12/h5-7,12,15,18,20-21H,2-4,8-10H2,1H3,(H2,17,19)
InChIKeyZOOVSRUUZYQADN-UHFFFAOYSA-N
XLogP1.73
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.73
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-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642
4-[(cyclopentylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77030237
N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 106136286
3-chloro-N'-hydroxy-4-[[(2-methylcyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 107418885
N'-hydroxy-4-[(5-hydroxypentylamino)methyl]-3-methylbenzenecarboximidamide
CID 107317916
N'-hydroxy-4-[(6-hydroxyhexylamino)methyl]-3-methylbenzenecarboximidamide
CID 107853266
4-[(3-ethoxypropylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482681
4-[[[(1S)-1-cyclopentylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930170
4-[(cyclopropylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77026658
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930169

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide (CID 106136351) is N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1CNCC1CCCC(O)C1.
What is the InChIKey of N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is ZOOVSRUUZYQADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-7-13(16(17)19-21)5-6-14(11)10-18-9-12-3-2-4-15(20)8-12/h5-7,12,15,18,20-21H,2-4,8-10H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide?
N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 291.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(3-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 106136351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).