3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide

C13H27N3O — CID 54948413

IUPAC3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1CCC(N(C)CC(C)C(N)=NO)CC1
InChIInChI=1S/C13H27N3O/c1-4-11-5-7-12(8-6-11)16(3)9-10(2)13(14)15-17/h10-12,17H,4-9H2,1-3H3,(H2,14,15)
InChIKeyCPOFUASOLMKWAD-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.27
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54948413) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54948413
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1CCC(N(C)CC(C)C(N)=NO)CC1
InChIInChI=1S/C13H27N3O/c1-4-11-5-7-12(8-6-11)16(3)9-10(2)13(14)15-17/h10-12,17H,4-9H2,1-3H3,(H2,14,15)
InChIKeyCPOFUASOLMKWAD-UHFFFAOYSA-N
XLogP2.27
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.27
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 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 54948413) is 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is CCC1CCC(N(C)CC(C)C(N)=NO)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is CPOFUASOLMKWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-11-5-7-12(8-6-11)16(3)9-10(2)13(14)15-17/h10-12,17H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54948413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).