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

C16H32N2O — CID 20572598

IUPAC1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine
SMILESCC(ON=C1CCCCCCCCCCC1)N(C)C
InChIInChI=1S/C16H32N2O/c1-15(18(2)3)19-17-16-13-11-9-7-5-4-6-8-10-12-14-16/h15H,4-14H2,1-3H3
InChIKeyJNNZBLLVFXJWBZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.57
Rot. Bonds3

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

1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine (PubChem CID 20572598) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine
PubChem CID20572598
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine
SMILESCC(ON=C1CCCCCCCCCCC1)N(C)C
InChIInChI=1S/C16H32N2O/c1-15(18(2)3)19-17-16-13-11-9-7-5-4-6-8-10-12-14-16/h15H,4-14H2,1-3H3
InChIKeyJNNZBLLVFXJWBZ-UHFFFAOYSA-N
XLogP4.57
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.57
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-dimethylethanamine?
The IUPAC name of 1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine (CID 20572598) is 1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine?
The canonical SMILES for 1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine is CC(ON=C1CCCCCCCCCCC1)N(C)C.
What is the InChIKey of 1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine?
The InChIKey is JNNZBLLVFXJWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(18(2)3)19-17-16-13-11-9-7-5-4-6-8-10-12-14-16/h15H,4-14H2,1-3H3.
What are the key properties of 1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine?
1-(cyclododecylideneamino)oxy-N,N-dimethylethanamine has a molecular weight of 268.44 g/mol, XLogP of 4.57, 3 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-dimethylethanamine is sourced from PubChem (CID 20572598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).