2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane

C14H31N4P — CID 101467980

IUPAC2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane
SMILESCC(C)N1CCN2CCN(C(C)C)P1N(C(C)C)C2
InChIInChI=1S/C14H31N4P/c1-12(2)16-9-7-15-8-10-17(13(3)4)19(16)18(11-15)14(5)6/h12-14H,7-11H2,1-6H3
InChIKeyFWPHCERTSKVSBE-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.63
Rot. Bonds3

About 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane

2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane (PubChem CID 101467980) has the molecular formula C14H31N4P and a molecular weight of 286.40 g/mol. Its IUPAC name is 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane.

Molecular Properties

Compound Name2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane
PubChem CID101467980
Molecular FormulaC14H31N4P
Molecular Weight286.40 g/mol
Exact Mass286.23
IUPAC Name2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane
SMILESCC(C)N1CCN2CCN(C(C)C)P1N(C(C)C)C2
InChIInChI=1S/C14H31N4P/c1-12(2)16-9-7-15-8-10-17(13(3)4)19(16)18(11-15)14(5)6/h12-14H,7-11H2,1-6H3
InChIKeyFWPHCERTSKVSBE-UHFFFAOYSA-N
XLogP2.63
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane?
The IUPAC name of 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane (CID 101467980) is 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane.
What is the SMILES notation for 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane?
The canonical SMILES for 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane is CC(C)N1CCN2CCN(C(C)C)P1N(C(C)C)C2.
What is the InChIKey of 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane?
The InChIKey is FWPHCERTSKVSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N4P/c1-12(2)16-9-7-15-8-10-17(13(3)4)19(16)18(11-15)14(5)6/h12-14H,7-11H2,1-6H3.
What are the key properties of 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane?
2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane has a molecular weight of 286.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.2]decane is sourced from PubChem (CID 101467980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).