1-aza-5-phosphabicyclo[3.2.1]octane

C6H12NP — CID 23418546

IUPAC1-aza-5-phosphabicyclo[3.2.1]octane
SMILESC1CN2CCP(C1)C2
InChIInChI=1S/C6H12NP/c1-2-7-3-5-8(4-1)6-7/h1-6H2
InChIKeyYSMXRGYNJJQFNN-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.15
Rot. Bonds

About 1-aza-5-phosphabicyclo[3.2.1]octane

1-aza-5-phosphabicyclo[3.2.1]octane (PubChem CID 23418546) has the molecular formula C6H12NP and a molecular weight of 129.14 g/mol. Its IUPAC name is 1-aza-5-phosphabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-aza-5-phosphabicyclo[3.2.1]octane
PubChem CID23418546
Molecular FormulaC6H12NP
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name1-aza-5-phosphabicyclo[3.2.1]octane
SMILESC1CN2CCP(C1)C2
InChIInChI=1S/C6H12NP/c1-2-7-3-5-8(4-1)6-7/h1-6H2
InChIKeyYSMXRGYNJJQFNN-UHFFFAOYSA-N
XLogP1.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-aza-5-phosphabicyclo[3.2.1]octane?
The IUPAC name of 1-aza-5-phosphabicyclo[3.2.1]octane (CID 23418546) is 1-aza-5-phosphabicyclo[3.2.1]octane.
What is the SMILES notation for 1-aza-5-phosphabicyclo[3.2.1]octane?
The canonical SMILES for 1-aza-5-phosphabicyclo[3.2.1]octane is C1CN2CCP(C1)C2.
What is the InChIKey of 1-aza-5-phosphabicyclo[3.2.1]octane?
The InChIKey is YSMXRGYNJJQFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NP/c1-2-7-3-5-8(4-1)6-7/h1-6H2.
What are the key properties of 1-aza-5-phosphabicyclo[3.2.1]octane?
1-aza-5-phosphabicyclo[3.2.1]octane has a molecular weight of 129.14 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aza-5-phosphabicyclo[3.2.1]octane is sourced from PubChem (CID 23418546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).