3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine

C19H38N2O — CID 13205810

IUPAC3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCON=C1CCCCCCCCCCC1
InChIInChI=1S/C19H38N2O/c1-3-21(4-2)17-14-18-22-20-19-15-12-10-8-6-5-7-9-11-13-16-19/h3-18H2,1-2H3
InChIKeyVPBZETYBRLPLSN-UHFFFAOYSA-N
MW310.53 g/mol
LogP5.40
Rot. Bonds7

About 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine

3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine (PubChem CID 13205810) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine
PubChem CID13205810
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCON=C1CCCCCCCCCCC1
InChIInChI=1S/C19H38N2O/c1-3-21(4-2)17-14-18-22-20-19-15-12-10-8-6-5-7-9-11-13-16-19/h3-18H2,1-2H3
InChIKeyVPBZETYBRLPLSN-UHFFFAOYSA-N
XLogP5.40
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 55.40
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 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine 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 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine (CID 13205810) is 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine is CCN(CC)CCCON=C1CCCCCCCCCCC1.
What is the InChIKey of 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine?
The InChIKey is VPBZETYBRLPLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-3-21(4-2)17-14-18-22-20-19-15-12-10-8-6-5-7-9-11-13-16-19/h3-18H2,1-2H3.
What are the key properties of 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine?
3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine has a molecular weight of 310.53 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine is sourced from PubChem (CID 13205810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).