N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide

C14H28N2O3 — CID 77063111

IUPACN'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
SMILESCOC1CCCC(OCCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H28N2O3/c1-14(2,13(15)16-17)8-5-9-19-12-7-4-6-11(10-12)18-3/h11-12,17H,4-10H2,1-3H3,(H2,15,16)
InChIKeyKHVLREPKUZYUQX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.51
Rot. Bonds7

About N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide

N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide (PubChem CID 77063111) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
PubChem CID77063111
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
SMILESCOC1CCCC(OCCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H28N2O3/c1-14(2,13(15)16-17)8-5-9-19-12-7-4-6-11(10-12)18-3/h11-12,17H,4-10H2,1-3H3,(H2,15,16)
InChIKeyKHVLREPKUZYUQX-UHFFFAOYSA-N
XLogP2.51
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide (CID 77063111) is N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide is COC1CCCC(OCCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide?
The InChIKey is KHVLREPKUZYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,13(15)16-17)8-5-9-19-12-7-4-6-11(10-12)18-3/h11-12,17H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide?
N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide has a molecular weight of 272.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).