tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)

C98H217N7 — CID 167660055

IUPACtris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC(C2)C1.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2
InChIInChI=1S/7C10H19N.14C2H6/c3*1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-8-4-5-9(11)7-6-8;3*1-8(2)11-9-4-3-5-10(11)7-6-9;14*1-2/h4*8-9H,4-7H2,1-3H3;3*8-10H,3-7H2,1-2H3;14*1-2H3
InChIKeyRUYHDQJRDCMJHL-UHFFFAOYSA-N
MW1493.86 g/mol
LogP30.39
Rot. Bonds3

About tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)

tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane) (PubChem CID 167660055) has the molecular formula C98H217N7 and a molecular weight of 1493.86 g/mol. Its IUPAC name is tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane).

Molecular Properties

Compound Nametris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)
PubChem CID167660055
Molecular FormulaC98H217N7
Molecular Weight1493.86 g/mol
Exact Mass1492.72
IUPAC Nametris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC(C2)C1.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2
InChIInChI=1S/7C10H19N.14C2H6/c3*1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-8-4-5-9(11)7-6-8;3*1-8(2)11-9-4-3-5-10(11)7-6-9;14*1-2/h4*8-9H,4-7H2,1-3H3;3*8-10H,3-7H2,1-2H3;14*1-2H3
InChIKeyRUYHDQJRDCMJHL-UHFFFAOYSA-N
XLogP30.39
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001493.86
LogP ≤ 530.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane) with MolForge

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Related Compounds

Tris(3-tert-butyl-6-methyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptane;ethane;tris(3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane)
CID 157490256
Ethane;tris(3-propan-2-yl-3-azabicyclo[3.1.1]heptane);7-propan-2-yl-7-azabicyclo[2.2.1]heptane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)
CID 158131790
Ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160875120

Frequently Asked Questions

What is the IUPAC name of tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)?
The IUPAC name of tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane) (CID 167660055) is tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane).
What is the SMILES notation for tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)?
The canonical SMILES for tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC(C2)C1.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.
What is the InChIKey of tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)?
The InChIKey is RUYHDQJRDCMJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/7C10H19N.14C2H6/c3*1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-8-4-5-9(11)7-6-8;3*1-8(2)11-9-4-3-5-10(11)7-6-9;14*1-2/h4*8-9H,4-7H2,1-3H3;3*8-10H,3-7H2,1-2H3;14*1-2H3.
What are the key properties of tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)?
tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane) has a molecular weight of 1493.86 g/mol, XLogP of 30.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane) is sourced from PubChem (CID 167660055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).