1,6-diazecan-1-ylphosphane

C8H19N2P — CID 91505581

IUPAC1,6-diazecan-1-ylphosphane
SMILESPN1CCCCNCCCC1
InChIInChI=1S/C8H19N2P/c11-10-7-3-1-5-9-6-2-4-8-10/h9H,1-8,11H2
InChIKeyIRODOFHVRSKTLX-UHFFFAOYSA-N
MW174.23 g/mol
LogP1.24
Rot. Bonds

About 1,6-diazecan-1-ylphosphane

1,6-diazecan-1-ylphosphane (PubChem CID 91505581) has the molecular formula C8H19N2P and a molecular weight of 174.23 g/mol. Its IUPAC name is 1,6-diazecan-1-ylphosphane.

Molecular Properties

Compound Name1,6-diazecan-1-ylphosphane
PubChem CID91505581
Molecular FormulaC8H19N2P
Molecular Weight174.23 g/mol
Exact Mass174.13
IUPAC Name1,6-diazecan-1-ylphosphane
SMILESPN1CCCCNCCCC1
InChIInChI=1S/C8H19N2P/c11-10-7-3-1-5-9-6-2-4-8-10/h9H,1-8,11H2
InChIKeyIRODOFHVRSKTLX-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 51.24
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 1,6-diazecan-1-ylphosphane?
The IUPAC name of 1,6-diazecan-1-ylphosphane (CID 91505581) is 1,6-diazecan-1-ylphosphane.
What is the SMILES notation for 1,6-diazecan-1-ylphosphane?
The canonical SMILES for 1,6-diazecan-1-ylphosphane is PN1CCCCNCCCC1.
What is the InChIKey of 1,6-diazecan-1-ylphosphane?
The InChIKey is IRODOFHVRSKTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2P/c11-10-7-3-1-5-9-6-2-4-8-10/h9H,1-8,11H2.
What are the key properties of 1,6-diazecan-1-ylphosphane?
1,6-diazecan-1-ylphosphane has a molecular weight of 174.23 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diazecan-1-ylphosphane is sourced from PubChem (CID 91505581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).