N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine

C8H17NO2 — CID 82685380

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine
SMILESCCOC1CC(NO)C1(C)C
InChIInChI=1S/C8H17NO2/c1-4-11-7-5-6(9-10)8(7,2)3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyVGKKJRYNSYYJEQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.17
Rot. Bonds3

About N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine

N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine (PubChem CID 82685380) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine
PubChem CID82685380
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine
SMILESCCOC1CC(NO)C1(C)C
InChIInChI=1S/C8H17NO2/c1-4-11-7-5-6(9-10)8(7,2)3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyVGKKJRYNSYYJEQ-UHFFFAOYSA-N
XLogP1.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine (CID 82685380) is N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine is CCOC1CC(NO)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine?
The InChIKey is VGKKJRYNSYYJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-11-7-5-6(9-10)8(7,2)3/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine has a molecular weight of 159.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)hydroxylamine is sourced from PubChem (CID 82685380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).