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

C19H38N2O — CID 20572588

IUPAC1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine
SMILESCCC(ON=C1CCCCCCCCCCC1)N(CC)CC
InChIInChI=1S/C19H38N2O/c1-4-19(21(5-2)6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-18/h19H,4-17H2,1-3H3
InChIKeyZIUXMJXKGIOEKQ-UHFFFAOYSA-N
MW310.53 g/mol
LogP5.74
Rot. Bonds6

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

1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine (PubChem CID 20572588) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine
PubChem CID20572588
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine
SMILESCCC(ON=C1CCCCCCCCCCC1)N(CC)CC
InChIInChI=1S/C19H38N2O/c1-4-19(21(5-2)6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-18/h19H,4-17H2,1-3H3
InChIKeyZIUXMJXKGIOEKQ-UHFFFAOYSA-N
XLogP5.74
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 55.74
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'}

Analyze 1-(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 1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine?
The IUPAC name of 1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine (CID 20572588) is 1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine is CCC(ON=C1CCCCCCCCCCC1)N(CC)CC.
What is the InChIKey of 1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine?
The InChIKey is ZIUXMJXKGIOEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-4-19(21(5-2)6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-18/h19H,4-17H2,1-3H3.
What are the key properties of 1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine?
1-(cyclododecylideneamino)oxy-N,N-diethylpropan-1-amine has a molecular weight of 310.53 g/mol, XLogP of 5.74, 6 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-diethylpropan-1-amine is sourced from PubChem (CID 20572588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).