N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide

C10H21N3O2 — CID 77030123

IUPACN'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide
SMILESCC(CC(N)=NO)NC1CCCCC1O
InChIInChI=1S/C10H21N3O2/c1-7(6-10(11)13-15)12-8-4-2-3-5-9(8)14/h7-9,12,14-15H,2-6H2,1H3,(H2,11,13)
InChIKeyZGDRGOIOHXFZNY-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.40
Rot. Bonds4

About N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide

N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide (PubChem CID 77030123) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide
PubChem CID77030123
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide
SMILESCC(CC(N)=NO)NC1CCCCC1O
InChIInChI=1S/C10H21N3O2/c1-7(6-10(11)13-15)12-8-4-2-3-5-9(8)14/h7-9,12,14-15H,2-6H2,1H3,(H2,11,13)
InChIKeyZGDRGOIOHXFZNY-UHFFFAOYSA-N
XLogP0.40
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.40
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

3,3,3-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
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61406642
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 61406644
3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide
CID 64331951
3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyimino-2-methylpropanamide
CID 76941455
3-amino-N-(2-hydroxycyclohexyl)-3-hydroxyiminopropanamide
CID 76941513
N'-hydroxy-2-[(2-hydroxycyclohexyl)amino]ethanimidamide
CID 77027205
N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]pentanimidamide
CID 77027412
N'-hydroxy-3-(1-hydroxypropan-2-ylamino)pentanimidamide
CID 77027542
N'-hydroxy-2-[(2-hydroxycyclohexyl)amino]butanimidamide
CID 77027626
N'-hydroxy-4-[(2-hydroxycyclohexyl)amino]butanimidamide
CID 77027628

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide (CID 77030123) is N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide is CC(CC(N)=NO)NC1CCCCC1O.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide?
The InChIKey is ZGDRGOIOHXFZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(6-10(11)13-15)12-8-4-2-3-5-9(8)14/h7-9,12,14-15H,2-6H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide?
N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]butanimidamide is sourced from PubChem (CID 77030123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).