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

C10H21N3O2 — CID 102632416

IUPACN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
SMILESCC(C(N)=NO)N(C)C1CCCCC1O
InChIInChI=1S/C10H21N3O2/c1-7(10(11)12-15)13(2)8-5-3-4-6-9(8)14/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyNHKRPPBTQQQQLB-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds3

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

N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide (PubChem CID 102632416) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
PubChem CID102632416
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
SMILESCC(C(N)=NO)N(C)C1CCCCC1O
InChIInChI=1S/C10H21N3O2/c1-7(10(11)12-15)13(2)8-5-3-4-6-9(8)14/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyNHKRPPBTQQQQLB-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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)-methylamino]methyl]propanimidamide
CID 103370246
N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 61406592
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 61406593
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61406642
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 61406644
N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61524532
N'-hydroxy-2-(3-hydroxypiperidin-1-yl)propanimidamide
CID 61691793
N'-hydroxy-2-(3-hydroxypiperidin-1-yl)butanimidamide
CID 61697137
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
CID 76911184
N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]propanimidamide
CID 76915074
N'-hydroxy-2-(3-hydroxypiperidin-1-yl)propanimidamide
CID 76915094
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 76915096

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide (CID 102632416) is N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide is CC(C(N)=NO)N(C)C1CCCCC1O.
What is the InChIKey of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide?
The InChIKey is NHKRPPBTQQQQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(10(11)12-15)13(2)8-5-3-4-6-9(8)14/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide?
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]propanimidamide is sourced from PubChem (CID 102632416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).