N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide

C10H20N2O2 — CID 24691798

IUPACN'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide
SMILESCC1CCC(OCC/C(N)=N/O)CC1
InChIInChI=1S/C10H20N2O2/c1-8-2-4-9(5-3-8)14-7-6-10(11)12-13/h8-9,13H,2-7H2,1H3,(H2,11,12)
InChIKeyVRFPNZRFRHTJGW-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.72
Rot. Bonds4

About N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide

N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide (PubChem CID 24691798) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide
PubChem CID24691798
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide
SMILESCC1CCC(OCC/C(N)=N/O)CC1
InChIInChI=1S/C10H20N2O2/c1-8-2-4-9(5-3-8)14-7-6-10(11)12-13/h8-9,13H,2-7H2,1H3,(H2,11,12)
InChIKeyVRFPNZRFRHTJGW-UHFFFAOYSA-N
XLogP1.72
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3-(4-methylcyclohexyl)oxypropanimidamide?
The IUPAC name of N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide (CID 24691798) is N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide is CC1CCC(OCC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide?
The InChIKey is VRFPNZRFRHTJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-2-4-9(5-3-8)14-7-6-10(11)12-13/h8-9,13H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide?
N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide has a molecular weight of 200.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-methylcyclohexyl)oxypropanimidamide is sourced from PubChem (CID 24691798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).