N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide

C11H23N3O2 — CID 77028024

IUPACN'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide
SMILESCC1CCCC(CO)(NC(C)C(N)=NO)C1
InChIInChI=1S/C11H23N3O2/c1-8-4-3-5-11(6-8,7-15)13-9(2)10(12)14-16/h8-9,13,15-16H,3-7H2,1-2H3,(H2,12,14)
InChIKeyASRNORLLPQZMRH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.65
Rot. Bonds4

About N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide

N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide (PubChem CID 77028024) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide
PubChem CID77028024
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide
SMILESCC1CCCC(CO)(NC(C)C(N)=NO)C1
InChIInChI=1S/C11H23N3O2/c1-8-4-3-5-11(6-8,7-15)13-9(2)10(12)14-16/h8-9,13,15-16H,3-7H2,1-2H3,(H2,12,14)
InChIKeyASRNORLLPQZMRH-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide (CID 77028024) is N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide is CC1CCCC(CO)(NC(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide?
The InChIKey is ASRNORLLPQZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8-4-3-5-11(6-8,7-15)13-9(2)10(12)14-16/h8-9,13,15-16H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide?
N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propanimidamide is sourced from PubChem (CID 77028024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).