(NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine

C14H27NO3 — CID 88737434

IUPAC(NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine
SMILESCCOC1(OCC)CCCCCCCC/C1=N\O
InChIInChI=1S/C14H27NO3/c1-3-17-14(18-4-2)12-10-8-6-5-7-9-11-13(14)15-16/h16H,3-12H2,1-2H3/b15-13+
InChIKeyBYPQDLASHDSYKQ-FYWRMAATSA-N
MW257.37 g/mol
LogP3.72
Rot. Bonds4

About (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine

(NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine (PubChem CID 88737434) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine
PubChem CID88737434
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine
SMILESCCOC1(OCC)CCCCCCCC/C1=N\O
InChIInChI=1S/C14H27NO3/c1-3-17-14(18-4-2)12-10-8-6-5-7-9-11-13(14)15-16/h16H,3-12H2,1-2H3/b15-13+
InChIKeyBYPQDLASHDSYKQ-FYWRMAATSA-N
XLogP3.72
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.72
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 (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine (CID 88737434) is (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine is CCOC1(OCC)CCCCCCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine?
The InChIKey is BYPQDLASHDSYKQ-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-17-14(18-4-2)12-10-8-6-5-7-9-11-13(14)15-16/h16H,3-12H2,1-2H3/b15-13+.
What are the key properties of (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine?
(NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine has a molecular weight of 257.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine is sourced from PubChem (CID 88737434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).