3,8-diazabicyclo[3.2.1]octan-8-ylphosphane

C6H13N2P — CID 167294099

IUPAC3,8-diazabicyclo[3.2.1]octan-8-ylphosphane
SMILESPN1C2CCC1CNC2
InChIInChI=1S/C6H13N2P/c9-8-5-1-2-6(8)4-7-3-5/h5-7H,1-4,9H2
InChIKeyWEJHVEQHTVTNCI-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.21
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane

3,8-diazabicyclo[3.2.1]octan-8-ylphosphane (PubChem CID 167294099) has the molecular formula C6H13N2P and a molecular weight of 144.16 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-8-ylphosphane
PubChem CID167294099
Molecular FormulaC6H13N2P
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name3,8-diazabicyclo[3.2.1]octan-8-ylphosphane
SMILESPN1C2CCC1CNC2
InChIInChI=1S/C6H13N2P/c9-8-5-1-2-6(8)4-7-3-5/h5-7H,1-4,9H2
InChIKeyWEJHVEQHTVTNCI-UHFFFAOYSA-N
XLogP0.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.21
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 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane (CID 167294099) is 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane is PN1C2CCC1CNC2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane?
The InChIKey is WEJHVEQHTVTNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2P/c9-8-5-1-2-6(8)4-7-3-5/h5-7H,1-4,9H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane?
3,8-diazabicyclo[3.2.1]octan-8-ylphosphane has a molecular weight of 144.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-8-ylphosphane is sourced from PubChem (CID 167294099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).