N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide

C13H27N3O2 — CID 77054577

IUPACN'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)C1CCC(C)CC1
InChIInChI=1S/C13H27N3O2/c1-11-3-5-12(6-4-11)16(9-10-18-2)8-7-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyVJOBIIVVNMUZNR-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.65
Rot. Bonds7

About N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide (PubChem CID 77054577) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide
PubChem CID77054577
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)C1CCC(C)CC1
InChIInChI=1S/C13H27N3O2/c1-11-3-5-12(6-4-11)16(9-10-18-2)8-7-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyVJOBIIVVNMUZNR-UHFFFAOYSA-N
XLogP1.65
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide (CID 77054577) is N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide is COCCN(CCC(N)=NO)C1CCC(C)CC1.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide?
The InChIKey is VJOBIIVVNMUZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11-3-5-12(6-4-11)16(9-10-18-2)8-7-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl-(4-methylcyclohexyl)amino]propanimidamide is sourced from PubChem (CID 77054577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).