5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

C14H28N2O2 — CID 77063177

IUPAC5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCOCC1CCCCC1)C(N)=NO
InChIInChI=1S/C14H28N2O2/c1-14(2,13(15)16-17)9-6-10-18-11-12-7-4-3-5-8-12/h12,17H,3-11H2,1-2H3,(H2,15,16)
InChIKeyLNHDTSDUOPCMBI-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.14
Rot. Bonds7

About 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063177) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063177
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCOCC1CCCCC1)C(N)=NO
InChIInChI=1S/C14H28N2O2/c1-14(2,13(15)16-17)9-6-10-18-11-12-7-4-3-5-8-12/h12,17H,3-11H2,1-2H3,(H2,15,16)
InChIKeyLNHDTSDUOPCMBI-UHFFFAOYSA-N
XLogP3.14
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063177) is 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCOCC1CCCCC1)C(N)=NO.
What is the InChIKey of 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is LNHDTSDUOPCMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,13(15)16-17)9-6-10-18-11-12-7-4-3-5-8-12/h12,17H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).