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

C10H21N3O2 — CID 102632401

IUPACN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
SMILESCN(CCC(N)=NO)C1CCCCC1O
InChIInChI=1S/C10H21N3O2/c1-13(7-6-10(11)12-15)8-4-2-3-5-9(8)14/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyUWFVIALAOVZXFO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds4

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

N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide (PubChem CID 102632401) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
PubChem CID102632401
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
SMILESCN(CCC(N)=NO)C1CCCCC1O
InChIInChI=1S/C10H21N3O2/c1-13(7-6-10(11)12-15)8-4-2-3-5-9(8)14/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyUWFVIALAOVZXFO-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
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

3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycyclohexyl)amino]methyl]propanimidamide
CID 103369700
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycyclohexyl)-methylamino]methyl]propanimidamide
CID 103370246
3,3,3-Trifluoro-2-[[(2-hydroxycyclohexyl)-methylamino]methyl]propanimidamide
CID 113808181
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54993937
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 54993984
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 54993985
5-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 54993986
4-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 54994657
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 61406593
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 61406595
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61406642
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 61406643

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide (CID 102632401) is N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide is CN(CCC(N)=NO)C1CCCCC1O.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide?
The InChIKey is UWFVIALAOVZXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13(7-6-10(11)12-15)8-4-2-3-5-9(8)14/h8-9,14-15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide?
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 4 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]propanimidamide is sourced from PubChem (CID 102632401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).