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

C11H23N3O2 — CID 102632403

IUPACN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide
SMILESCCC(C(N)=NO)N(C)C1CCCCC1O
InChIInChI=1S/C11H23N3O2/c1-3-8(11(12)13-16)14(2)9-6-4-5-7-10(9)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyGKRNHAFPYJLQJK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.75
Rot. Bonds4

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

N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide (PubChem CID 102632403) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide
PubChem CID102632403
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide
SMILESCCC(C(N)=NO)N(C)C1CCCCC1O
InChIInChI=1S/C11H23N3O2/c1-3-8(11(12)13-16)14(2)9-6-4-5-7-10(9)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyGKRNHAFPYJLQJK-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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

N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide
CID 102632406
2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 76915568
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide
CID 76946405
trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
CID 102731911
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybutanimidamide
CID 76915656
2-(dipropylamino)-N'-hydroxybutanimidamide
CID 76915523
N'-hydroxy-2-[methyl(pentan-3-yl)amino]butanimidamide
CID 76915773
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 76915828
2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol
CID 102636514
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 102732133
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 104954562

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide (CID 102632403) is N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide is CCC(C(N)=NO)N(C)C1CCCCC1O.
What is the InChIKey of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide?
The InChIKey is GKRNHAFPYJLQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-8(11(12)13-16)14(2)9-6-4-5-7-10(9)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide?
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.75, 4 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]butanimidamide is sourced from PubChem (CID 102632403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).