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

C11H23N3O2 — CID 102632412

IUPACN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide
SMILESCC(CN(C)C1CCCCC1O)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-8(11(12)13-16)7-14(2)9-5-3-4-6-10(9)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyAPDOWWGLFKORKN-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.60
Rot. Bonds4

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

N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide (PubChem CID 102632412) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide
PubChem CID102632412
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide
SMILESCC(CN(C)C1CCCCC1O)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-8(11(12)13-16)7-14(2)9-5-3-4-6-10(9)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyAPDOWWGLFKORKN-UHFFFAOYSA-N
XLogP0.60
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.60
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
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
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 61406644
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76205314
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 76205317

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide (CID 102632412) is N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide is CC(CN(C)C1CCCCC1O)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide?
The InChIKey is APDOWWGLFKORKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(11(12)13-16)7-14(2)9-5-3-4-6-10(9)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide?
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-methylpropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.60, 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]-2-methylpropanimidamide is sourced from PubChem (CID 102632412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).