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

C18H36N2O — CID 20572583

IUPAC1-(cyclododecylideneamino)oxy-N,N-diethylethanamine
SMILESCCN(CC)C(C)ON=C1CCCCCCCCCCC1
InChIInChI=1S/C18H36N2O/c1-4-20(5-2)17(3)21-19-18-15-13-11-9-7-6-8-10-12-14-16-18/h17H,4-16H2,1-3H3
InChIKeySGSLDECRSIDWSB-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.35
Rot. Bonds5

About 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine

1-(cyclododecylideneamino)oxy-N,N-diethylethanamine (PubChem CID 20572583) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name1-(cyclododecylideneamino)oxy-N,N-diethylethanamine
PubChem CID20572583
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(cyclododecylideneamino)oxy-N,N-diethylethanamine
SMILESCCN(CC)C(C)ON=C1CCCCCCCCCCC1
InChIInChI=1S/C18H36N2O/c1-4-20(5-2)17(3)21-19-18-15-13-11-9-7-6-8-10-12-14-16-18/h17H,4-16H2,1-3H3
InChIKeySGSLDECRSIDWSB-UHFFFAOYSA-N
XLogP5.35
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine?
The IUPAC name of 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine (CID 20572583) is 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine.
What is the SMILES notation for 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine?
The canonical SMILES for 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine is CCN(CC)C(C)ON=C1CCCCCCCCCCC1.
What is the InChIKey of 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine?
The InChIKey is SGSLDECRSIDWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-20(5-2)17(3)21-19-18-15-13-11-9-7-6-8-10-12-14-16-18/h17H,4-16H2,1-3H3.
What are the key properties of 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine?
1-(cyclododecylideneamino)oxy-N,N-diethylethanamine has a molecular weight of 296.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclododecylideneamino)oxy-N,N-diethylethanamine is sourced from PubChem (CID 20572583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).