2-(cyclododecylideneamino)oxy-N,N-diethylethanamine

C18H36N2O — CID 13205803

IUPAC2-(cyclododecylideneamino)oxy-N,N-diethylethanamine
SMILESCCN(CC)CCON=C1CCCCCCCCCCC1
InChIInChI=1S/C18H36N2O/c1-3-20(4-2)16-17-21-19-18-14-12-10-8-6-5-7-9-11-13-15-18/h3-17H2,1-2H3
InChIKeyYFIASDXULNXOAZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.01
Rot. Bonds6

About 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine

2-(cyclododecylideneamino)oxy-N,N-diethylethanamine (PubChem CID 13205803) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(cyclododecylideneamino)oxy-N,N-diethylethanamine
PubChem CID13205803
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-(cyclododecylideneamino)oxy-N,N-diethylethanamine
SMILESCCN(CC)CCON=C1CCCCCCCCCCC1
InChIInChI=1S/C18H36N2O/c1-3-20(4-2)16-17-21-19-18-14-12-10-8-6-5-7-9-11-13-15-18/h3-17H2,1-2H3
InChIKeyYFIASDXULNXOAZ-UHFFFAOYSA-N
XLogP5.01
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_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 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine?
The IUPAC name of 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine (CID 13205803) is 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine?
The canonical SMILES for 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine is CCN(CC)CCON=C1CCCCCCCCCCC1.
What is the InChIKey of 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine?
The InChIKey is YFIASDXULNXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-20(4-2)16-17-21-19-18-14-12-10-8-6-5-7-9-11-13-15-18/h3-17H2,1-2H3.
What are the key properties of 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine?
2-(cyclododecylideneamino)oxy-N,N-diethylethanamine has a molecular weight of 296.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclododecylideneamino)oxy-N,N-diethylethanamine is sourced from PubChem (CID 13205803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).