1,5-diazonan-1-ylphosphane

C7H17N2P — CID 89030941

IUPAC1,5-diazonan-1-ylphosphane
SMILESPN1CCCCNCCC1
InChIInChI=1S/C7H17N2P/c10-9-6-2-1-4-8-5-3-7-9/h8H,1-7,10H2
InChIKeyIUZRYGDFPVFJGE-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.85
Rot. Bonds

About 1,5-diazonan-1-ylphosphane

1,5-diazonan-1-ylphosphane (PubChem CID 89030941) has the molecular formula C7H17N2P and a molecular weight of 160.20 g/mol. Its IUPAC name is 1,5-diazonan-1-ylphosphane.

Molecular Properties

Compound Name1,5-diazonan-1-ylphosphane
PubChem CID89030941
Molecular FormulaC7H17N2P
Molecular Weight160.20 g/mol
Exact Mass160.11
IUPAC Name1,5-diazonan-1-ylphosphane
SMILESPN1CCCCNCCC1
InChIInChI=1S/C7H17N2P/c10-9-6-2-1-4-8-5-3-7-9/h8H,1-7,10H2
InChIKeyIUZRYGDFPVFJGE-UHFFFAOYSA-N
XLogP0.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-diazonan-1-ylphosphane?
The IUPAC name of 1,5-diazonan-1-ylphosphane (CID 89030941) is 1,5-diazonan-1-ylphosphane.
What is the SMILES notation for 1,5-diazonan-1-ylphosphane?
The canonical SMILES for 1,5-diazonan-1-ylphosphane is PN1CCCCNCCC1.
What is the InChIKey of 1,5-diazonan-1-ylphosphane?
The InChIKey is IUZRYGDFPVFJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2P/c10-9-6-2-1-4-8-5-3-7-9/h8H,1-7,10H2.
What are the key properties of 1,5-diazonan-1-ylphosphane?
1,5-diazonan-1-ylphosphane has a molecular weight of 160.20 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazonan-1-ylphosphane is sourced from PubChem (CID 89030941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).