tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane

C39H81N3 — CID 161091772

IUPACtris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2.CC(C)N1CC2CCC21
InChIInChI=1S/C10H19N.C9H17N.C8H15N.3C4H10/c1-8(2)11-7-9-3-5-10(11)6-4-9;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-5-7-3-4-8(7)9;3*1-4(2)3/h8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*4H,1-3H3
InChIKeyUHGRSEMSAQZODW-UHFFFAOYSA-N
MW592.10 g/mol
LogP10.62
Rot. Bonds3

About tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane

tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane (PubChem CID 161091772) has the molecular formula C39H81N3 and a molecular weight of 592.10 g/mol. Its IUPAC name is tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Nametris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
PubChem CID161091772
Molecular FormulaC39H81N3
Molecular Weight592.10 g/mol
Exact Mass591.64
IUPAC Nametris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2.CC(C)N1CC2CCC21
InChIInChI=1S/C10H19N.C9H17N.C8H15N.3C4H10/c1-8(2)11-7-9-3-5-10(11)6-4-9;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-5-7-3-4-8(7)9;3*1-4(2)3/h8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*4H,1-3H3
InChIKeyUHGRSEMSAQZODW-UHFFFAOYSA-N
XLogP10.62
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.10
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

3,3-Difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;4,4-difluoro-1-propan-2-ylpiperidine
CID 158676199
3,3-Difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;methane
CID 163454860
3,3-Difluoro-6-propan-2-yl-6-azabicyclo[3.1.1]heptane;5,5-difluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptane
CID 163560561
Ethane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 157797372
2-Methyl-2-azabicyclo[2.2.1]heptane;3-methyl-3-azabicyclo[3.1.1]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 158601922
2-Azabicyclo[2.2.1]heptane;2-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane
CID 160900743

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The IUPAC name of tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane (CID 161091772) is tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane is CC(C)C.CC(C)C.CC(C)C.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2.CC(C)N1CC2CCC21.
What is the InChIKey of tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane?
The InChIKey is UHGRSEMSAQZODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C9H17N.C8H15N.3C4H10/c1-8(2)11-7-9-3-5-10(11)6-4-9;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-5-7-3-4-8(7)9;3*1-4(2)3/h8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*4H,1-3H3.
What are the key properties of tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane?
tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane has a molecular weight of 592.10 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropane);2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.0]hexane;2-propan-2-yl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 161091772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).