N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide

C14H28N2O2 — CID 77063314

IUPACN'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide
SMILESCC1CCCC(OCCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H28N2O2/c1-11-6-4-7-12(10-11)18-9-5-8-14(2,3)13(15)16-17/h11-12,17H,4-10H2,1-3H3,(H2,15,16)
InChIKeyBJFOGTZAAFFWKG-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.13
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide

N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide (PubChem CID 77063314) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide
PubChem CID77063314
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide
SMILESCC1CCCC(OCCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H28N2O2/c1-11-6-4-7-12(10-11)18-9-5-8-14(2,3)13(15)16-17/h11-12,17H,4-10H2,1-3H3,(H2,15,16)
InChIKeyBJFOGTZAAFFWKG-UHFFFAOYSA-N
XLogP3.13
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.13
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 N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide (CID 77063314) is N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide is CC1CCCC(OCCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide?
The InChIKey is BJFOGTZAAFFWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-6-4-7-12(10-11)18-9-5-8-14(2,3)13(15)16-17/h11-12,17H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide is sourced from PubChem (CID 77063314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).