(NE)-N-(2-methoxycyclododecylidene)hydroxylamine

C13H25NO2 — CID 14764767

IUPAC(NE)-N-(2-methoxycyclododecylidene)hydroxylamine
SMILESCOC1CCCCCCCCCC/C1=N\O
InChIInChI=1S/C13H25NO2/c1-16-13-11-9-7-5-3-2-4-6-8-10-12(13)14-15/h13,15H,2-11H2,1H3/b14-12+
InChIKeyZGLGPFHVYCIYOX-WYMLVPIESA-N
MW227.35 g/mol
LogP3.75
Rot. Bonds1

About (NE)-N-(2-methoxycyclododecylidene)hydroxylamine

(NE)-N-(2-methoxycyclododecylidene)hydroxylamine (PubChem CID 14764767) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (NE)-N-(2-methoxycyclododecylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methoxycyclododecylidene)hydroxylamine
PubChem CID14764767
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(NE)-N-(2-methoxycyclododecylidene)hydroxylamine
SMILESCOC1CCCCCCCCCC/C1=N\O
InChIInChI=1S/C13H25NO2/c1-16-13-11-9-7-5-3-2-4-6-8-10-12(13)14-15/h13,15H,2-11H2,1H3/b14-12+
InChIKeyZGLGPFHVYCIYOX-WYMLVPIESA-N
XLogP3.75
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-methoxycyclododecylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methoxycyclododecylidene)hydroxylamine (CID 14764767) is (NE)-N-(2-methoxycyclododecylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methoxycyclododecylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methoxycyclododecylidene)hydroxylamine is COC1CCCCCCCCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-methoxycyclododecylidene)hydroxylamine?
The InChIKey is ZGLGPFHVYCIYOX-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25NO2/c1-16-13-11-9-7-5-3-2-4-6-8-10-12(13)14-15/h13,15H,2-11H2,1H3/b14-12+.
What are the key properties of (NE)-N-(2-methoxycyclododecylidene)hydroxylamine?
(NE)-N-(2-methoxycyclododecylidene)hydroxylamine has a molecular weight of 227.35 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methoxycyclododecylidene)hydroxylamine is sourced from PubChem (CID 14764767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).