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

C16H32N2O — CID 13205802

IUPAC2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine
SMILESCN(C)CCON=C1CCCCCCCCCCC1
InChIInChI=1S/C16H32N2O/c1-18(2)14-15-19-17-16-12-10-8-6-4-3-5-7-9-11-13-16/h3-15H2,1-2H3
InChIKeyNVGXXXNUGIYECN-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.23
Rot. Bonds4

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

2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine (PubChem CID 13205802) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine
PubChem CID13205802
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine
SMILESCN(C)CCON=C1CCCCCCCCCCC1
InChIInChI=1S/C16H32N2O/c1-18(2)14-15-19-17-16-12-10-8-6-4-3-5-7-9-11-13-16/h3-15H2,1-2H3
InChIKeyNVGXXXNUGIYECN-UHFFFAOYSA-N
XLogP4.23
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.23
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'}

Analyze 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine (CID 13205802) is 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine is CN(C)CCON=C1CCCCCCCCCCC1.
What is the InChIKey of 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine?
The InChIKey is NVGXXXNUGIYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-18(2)14-15-19-17-16-12-10-8-6-4-3-5-7-9-11-13-16/h3-15H2,1-2H3.
What are the key properties of 2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine?
2-(cyclododecylideneamino)oxy-N,N-dimethylethanamine has a molecular weight of 268.44 g/mol, XLogP of 4.23, 4 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-dimethylethanamine is sourced from PubChem (CID 13205802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).