1-oxa-4,9-diazacycloundec-4-ylphosphane

C8H19N2OP — CID 145241976

IUPAC1-oxa-4,9-diazacycloundec-4-ylphosphane
SMILESPN1CCCCNCCOCC1
InChIInChI=1S/C8H19N2OP/c12-10-5-2-1-3-9-4-7-11-8-6-10/h9H,1-8,12H2
InChIKeyLDVHWYOREFKQEP-UHFFFAOYSA-N
MW190.23 g/mol
LogP0.48
Rot. Bonds

About 1-oxa-4,9-diazacycloundec-4-ylphosphane

1-oxa-4,9-diazacycloundec-4-ylphosphane (PubChem CID 145241976) has the molecular formula C8H19N2OP and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-oxa-4,9-diazacycloundec-4-ylphosphane.

Molecular Properties

Compound Name1-oxa-4,9-diazacycloundec-4-ylphosphane
PubChem CID145241976
Molecular FormulaC8H19N2OP
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-oxa-4,9-diazacycloundec-4-ylphosphane
SMILESPN1CCCCNCCOCC1
InChIInChI=1S/C8H19N2OP/c12-10-5-2-1-3-9-4-7-11-8-6-10/h9H,1-8,12H2
InChIKeyLDVHWYOREFKQEP-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-oxa-4,9-diazacycloundec-4-ylphosphane 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-oxa-4,9-diazacycloundec-4-ylphosphane?
The IUPAC name of 1-oxa-4,9-diazacycloundec-4-ylphosphane (CID 145241976) is 1-oxa-4,9-diazacycloundec-4-ylphosphane.
What is the SMILES notation for 1-oxa-4,9-diazacycloundec-4-ylphosphane?
The canonical SMILES for 1-oxa-4,9-diazacycloundec-4-ylphosphane is PN1CCCCNCCOCC1.
What is the InChIKey of 1-oxa-4,9-diazacycloundec-4-ylphosphane?
The InChIKey is LDVHWYOREFKQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2OP/c12-10-5-2-1-3-9-4-7-11-8-6-10/h9H,1-8,12H2.
What are the key properties of 1-oxa-4,9-diazacycloundec-4-ylphosphane?
1-oxa-4,9-diazacycloundec-4-ylphosphane has a molecular weight of 190.23 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,9-diazacycloundec-4-ylphosphane is sourced from PubChem (CID 145241976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).