1-aza-5-phosphabicyclo[3.3.2]decane

C8H16NP — CID 23419022

IUPAC1-aza-5-phosphabicyclo[3.3.2]decane
SMILESC1CN2CCCP(C1)CC2
InChIInChI=1S/C8H16NP/c1-3-9-4-2-7-10(6-1)8-5-9/h1-8H2
InChIKeyMRLKTBSMVIZMAX-UHFFFAOYSA-N
MW157.20 g/mol
LogP1.58
Rot. Bonds

About 1-aza-5-phosphabicyclo[3.3.2]decane

1-aza-5-phosphabicyclo[3.3.2]decane (PubChem CID 23419022) has the molecular formula C8H16NP and a molecular weight of 157.20 g/mol. Its IUPAC name is 1-aza-5-phosphabicyclo[3.3.2]decane.

Molecular Properties

Compound Name1-aza-5-phosphabicyclo[3.3.2]decane
PubChem CID23419022
Molecular FormulaC8H16NP
Molecular Weight157.20 g/mol
Exact Mass157.10
IUPAC Name1-aza-5-phosphabicyclo[3.3.2]decane
SMILESC1CN2CCCP(C1)CC2
InChIInChI=1S/C8H16NP/c1-3-9-4-2-7-10(6-1)8-5-9/h1-8H2
InChIKeyMRLKTBSMVIZMAX-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 51.58
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[3.3.2]decane?
The IUPAC name of 1-aza-5-phosphabicyclo[3.3.2]decane (CID 23419022) is 1-aza-5-phosphabicyclo[3.3.2]decane.
What is the SMILES notation for 1-aza-5-phosphabicyclo[3.3.2]decane?
The canonical SMILES for 1-aza-5-phosphabicyclo[3.3.2]decane is C1CN2CCCP(C1)CC2.
What is the InChIKey of 1-aza-5-phosphabicyclo[3.3.2]decane?
The InChIKey is MRLKTBSMVIZMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NP/c1-3-9-4-2-7-10(6-1)8-5-9/h1-8H2.
What are the key properties of 1-aza-5-phosphabicyclo[3.3.2]decane?
1-aza-5-phosphabicyclo[3.3.2]decane has a molecular weight of 157.20 g/mol, XLogP of 1.58, 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[3.3.2]decane is sourced from PubChem (CID 23419022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).