1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane

C80H160N6P6 — CID 158321103

IUPAC1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane
SMILESCC(C)(C)C1C2CC(CP2)N1C(C)(C)C.CC(C)(C)C1PC2CC1N(C(C)(C)C)C2.CC(C)(C)C1PCC2CCC1N2C(C)(C)C.CC(C)(C)N1C2CCC1(C(C)(C)C)CPC2.CC(C)(C)N1CC2(C(C)(C)C)CC1CP2.CC(C)(C)N1CC2CC1(C(C)(C)C)CP2
InChIInChI=1S/2C14H28NP.4C13H26NP/c1-12(2,3)14-8-7-11(9-16-10-14)15(14)13(4,5)6;1-13(2,3)12-11-8-7-10(9-16-12)15(11)14(4,5)6;1-11(2,3)13-7-10(8-15-13)14(9-13)12(4,5)6;1-11(2,3)13-7-10(15-9-13)8-14(13)12(4,5)6;1-12(2,3)11-10-7-9(8-15-10)14(11)13(4,5)6;1-12(2,3)11-10-7-9(15-11)8-14(10)13(4,5)6/h11,16H,7-10H2,1-6H3;10-12,16H,7-9H2,1-6H3;2*10,15H,7-9H2,1-6H3;2*9-11,15H,7-8H2,1-6H3
InChIKeyGOVZNZALDRJAFQ-UHFFFAOYSA-N
MW1392.05 g/mol
LogP20.79
Rot. Bonds

About 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane

1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane (PubChem CID 158321103) has the molecular formula C80H160N6P6 and a molecular weight of 1392.05 g/mol. Its IUPAC name is 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane
PubChem CID158321103
Molecular FormulaC80H160N6P6
Molecular Weight1392.05 g/mol
Exact Mass1391.11
IUPAC Name1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane
SMILESCC(C)(C)C1C2CC(CP2)N1C(C)(C)C.CC(C)(C)C1PC2CC1N(C(C)(C)C)C2.CC(C)(C)C1PCC2CCC1N2C(C)(C)C.CC(C)(C)N1C2CCC1(C(C)(C)C)CPC2.CC(C)(C)N1CC2(C(C)(C)C)CC1CP2.CC(C)(C)N1CC2CC1(C(C)(C)C)CP2
InChIInChI=1S/2C14H28NP.4C13H26NP/c1-12(2,3)14-8-7-11(9-16-10-14)15(14)13(4,5)6;1-13(2,3)12-11-8-7-10(9-16-12)15(11)14(4,5)6;1-11(2,3)13-7-10(8-15-13)14(9-13)12(4,5)6;1-11(2,3)13-7-10(15-9-13)8-14(13)12(4,5)6;1-12(2,3)11-10-7-9(8-15-10)14(11)13(4,5)6;1-12(2,3)11-10-7-9(15-11)8-14(10)13(4,5)6/h11,16H,7-10H2,1-6H3;10-12,16H,7-9H2,1-6H3;2*10,15H,7-9H2,1-6H3;2*9-11,15H,7-8H2,1-6H3
InChIKeyGOVZNZALDRJAFQ-UHFFFAOYSA-N
XLogP20.79
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001392.05
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane with MolForge

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Related Compounds

2,2-Dimethyl-1-azabicyclo[2.2.1]heptane;7,7-dimethyl-1-azabicyclo[2.2.1]heptane;2,2-dimethyl-1-azabicyclo[3.2.2]nonane;2,2-dimethyl-1-azabicyclo[2.2.2]octane;3,3-dimethyl-1-azabicyclo[2.2.2]octane;1,2,2-trimethylpiperidine;1,3,3-trimethylpiperidine;1,4,4-trimethylpiperidine;1,2,2-trimethylpyrrolidine;1,3,3-trimethylpyrrolidine
CID 167624776
Bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(3,3-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine)
CID 167628555
Bis(2,2-dimethyl-1-azabicyclo[2.2.1]heptane);bis(7,7-dimethyl-1-azabicyclo[2.2.1]heptane);bis(2,2-dimethyl-1-azabicyclo[3.2.2]nonane);bis(2,2-dimethyl-1-azabicyclo[2.2.2]octane);bis(1,2,2-trimethylpiperidine);bis(1,3,3-trimethylpiperidine);bis(1,2,2-trimethylpyrrolidine)
CID 167682291

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane?
The IUPAC name of 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane (CID 158321103) is 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane.
What is the SMILES notation for 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane?
The canonical SMILES for 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane is CC(C)(C)C1C2CC(CP2)N1C(C)(C)C.CC(C)(C)C1PC2CC1N(C(C)(C)C)C2.CC(C)(C)C1PCC2CCC1N2C(C)(C)C.CC(C)(C)N1C2CCC1(C(C)(C)C)CPC2.CC(C)(C)N1CC2(C(C)(C)C)CC1CP2.CC(C)(C)N1CC2CC1(C(C)(C)C)CP2.
What is the InChIKey of 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane?
The InChIKey is GOVZNZALDRJAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H28NP.4C13H26NP/c1-12(2,3)14-8-7-11(9-16-10-14)15(14)13(4,5)6;1-13(2,3)12-11-8-7-10(9-16-12)15(11)14(4,5)6;1-11(2,3)13-7-10(8-15-13)14(9-13)12(4,5)6;1-11(2,3)13-7-10(15-9-13)8-14(13)12(4,5)6;1-12(2,3)11-10-7-9(8-15-10)14(11)13(4,5)6;1-12(2,3)11-10-7-9(15-11)8-14(10)13(4,5)6/h11,16H,7-10H2,1-6H3;10-12,16H,7-9H2,1-6H3;2*10,15H,7-9H2,1-6H3;2*9-11,15H,7-8H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane?
1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane has a molecular weight of 1392.05 g/mol, XLogP of 20.79, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,3-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,4-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;2,6-ditert-butyl-2-aza-5-phosphabicyclo[2.2.1]heptane;1,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane;2,8-ditert-butyl-8-aza-3-phosphabicyclo[3.2.1]octane is sourced from PubChem (CID 158321103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).