N-(2,2-diethoxycyclohexylidene)hydroxylamine

C10H19NO3 — CID 71438667

IUPACN-(2,2-diethoxycyclohexylidene)hydroxylamine
SMILESCCOC1(OCC)CCCCC1=NO
InChIInChI=1S/C10H19NO3/c1-3-13-10(14-4-2)8-6-5-7-9(10)11-12/h12H,3-8H2,1-2H3
InChIKeyDRBOMQBNIULZBP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.16
Rot. Bonds4

About N-(2,2-diethoxycyclohexylidene)hydroxylamine

N-(2,2-diethoxycyclohexylidene)hydroxylamine (PubChem CID 71438667) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2,2-diethoxycyclohexylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,2-diethoxycyclohexylidene)hydroxylamine
PubChem CID71438667
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(2,2-diethoxycyclohexylidene)hydroxylamine
SMILESCCOC1(OCC)CCCCC1=NO
InChIInChI=1S/C10H19NO3/c1-3-13-10(14-4-2)8-6-5-7-9(10)11-12/h12H,3-8H2,1-2H3
InChIKeyDRBOMQBNIULZBP-UHFFFAOYSA-N
XLogP2.16
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(2,2-diethoxycyclohexylidene)hydroxylamine?
The IUPAC name of N-(2,2-diethoxycyclohexylidene)hydroxylamine (CID 71438667) is N-(2,2-diethoxycyclohexylidene)hydroxylamine.
What is the SMILES notation for N-(2,2-diethoxycyclohexylidene)hydroxylamine?
The canonical SMILES for N-(2,2-diethoxycyclohexylidene)hydroxylamine is CCOC1(OCC)CCCCC1=NO.
What is the InChIKey of N-(2,2-diethoxycyclohexylidene)hydroxylamine?
The InChIKey is DRBOMQBNIULZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-13-10(14-4-2)8-6-5-7-9(10)11-12/h12H,3-8H2,1-2H3.
What are the key properties of N-(2,2-diethoxycyclohexylidene)hydroxylamine?
N-(2,2-diethoxycyclohexylidene)hydroxylamine has a molecular weight of 201.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxycyclohexylidene)hydroxylamine is sourced from PubChem (CID 71438667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).