N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide

C16H25N3O2 — CID 102632415

IUPACN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
SMILESCN(CC(/C(N)=N/O)c1ccccc1)C1CCCCC1O
InChIInChI=1S/C16H25N3O2/c1-19(14-9-5-6-10-15(14)20)11-13(16(17)18-21)12-7-3-2-4-8-12/h2-4,7-8,13-15,20-21H,5-6,9-11H2,1H3,(H2,17,18)
InChIKeyXVLIEGFSTSNIHY-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.75
Rot. Bonds5

About N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide

N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide (PubChem CID 102632415) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
PubChem CID102632415
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
SMILESCN(CC(/C(N)=N/O)c1ccccc1)C1CCCCC1O
InChIInChI=1S/C16H25N3O2/c1-19(14-9-5-6-10-15(14)20)11-13(16(17)18-21)12-7-3-2-4-8-12/h2-4,7-8,13-15,20-21H,5-6,9-11H2,1H3,(H2,17,18)
InChIKeyXVLIEGFSTSNIHY-UHFFFAOYSA-N
XLogP1.75
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.75
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

3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 102632745
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77044152
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 102862953
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide
CID 102632403
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide
CID 102632406
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044047
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide (CID 102632415) is N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide is CN(CC(/C(N)=N/O)c1ccccc1)C1CCCCC1O.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide?
The InChIKey is XVLIEGFSTSNIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(14-9-5-6-10-15(14)20)11-13(16(17)18-21)12-7-3-2-4-8-12/h2-4,7-8,13-15,20-21H,5-6,9-11H2,1H3,(H2,17,18).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide has a molecular weight of 291.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide is sourced from PubChem (CID 102632415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).