2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide

C13H26N2O2 — CID 156545784

IUPAC2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide
SMILESCN(OC(C)(C)C)/C(CC1CCCCC1)=N\O
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-15(4)12(14-16)10-11-8-6-5-7-9-11/h11,16H,5-10H2,1-4H3/b14-12-
InChIKeyLNWPZFMOJFETCB-OWBHPGMISA-N
MW242.36 g/mol
LogP3.41
Rot. Bonds3

About 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide

2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide (PubChem CID 156545784) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide
PubChem CID156545784
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide
SMILESCN(OC(C)(C)C)/C(CC1CCCCC1)=N\O
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-15(4)12(14-16)10-11-8-6-5-7-9-11/h11,16H,5-10H2,1-4H3/b14-12-
InChIKeyLNWPZFMOJFETCB-OWBHPGMISA-N
XLogP3.41
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
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 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide?
The IUPAC name of 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide (CID 156545784) is 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide?
The canonical SMILES for 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide is CN(OC(C)(C)C)/C(CC1CCCCC1)=N\O.
What is the InChIKey of 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide?
The InChIKey is LNWPZFMOJFETCB-OWBHPGMISA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-15(4)12(14-16)10-11-8-6-5-7-9-11/h11,16H,5-10H2,1-4H3/b14-12-.
What are the key properties of 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide?
2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide has a molecular weight of 242.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide is sourced from PubChem (CID 156545784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).