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)

C94H209N7 — CID 158131790

IUPACethane;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)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC(C2)C1
InChIInChI=1S/3C10H19N.4C9H17N.14C2H6/c3*1-8(2)11-9-4-3-5-10(11)7-6-9;3*1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-3-4-9(10)6-5-8;14*1-2/h3*8-10H,3-7H2,1-2H3;4*7-9H,3-6H2,1-2H3;14*1-2H3
InChIKeyFSWBIJLFUWYURJ-UHFFFAOYSA-N
MW1437.75 g/mol
LogP28.83
Rot. Bonds7

About 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)

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) (PubChem CID 158131790) has the molecular formula C94H209N7 and a molecular weight of 1437.75 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Nameethane;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)
PubChem CID158131790
Molecular FormulaC94H209N7
Molecular Weight1437.75 g/mol
Exact Mass1436.66
IUPAC Nameethane;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)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC(C2)C1
InChIInChI=1S/3C10H19N.4C9H17N.14C2H6/c3*1-8(2)11-9-4-3-5-10(11)7-6-9;3*1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-3-4-9(10)6-5-8;14*1-2/h3*8-10H,3-7H2,1-2H3;4*7-9H,3-6H2,1-2H3;14*1-2H3
InChIKeyFSWBIJLFUWYURJ-UHFFFAOYSA-N
XLogP28.83
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001437.75
LogP ≤ 528.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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) 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
Carbanide;6,7,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;7,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,10-trimethyl-5-azoniaspiro[4.5]decane;6,9,10-trimethyl-5-azoniaspiro[4.5]decane;7,8,9-trimethyl-5-azoniaspiro[4.5]decane;7,8,10-trimethyl-5-azoniaspiro[4.5]decane
CID 158202630
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
Carbanide;6,10-dimethyl-5-azoniaspiro[4.5]decane;7,9-dimethyl-5-azoniaspiro[4.5]decane;7,10-dimethyl-5-azoniaspiro[4.5]decane;8,9-dimethyl-5-azoniaspiro[4.5]decane;8,10-dimethyl-5-azoniaspiro[4.5]decane;7,9,10-trimethyl-5-azoniaspiro[4.5]decane;8,9,10-trimethyl-5-azoniaspiro[4.5]decane
CID 160983175
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

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC(C2)C1.
What is the InChIKey of 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)?
The InChIKey is FSWBIJLFUWYURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H19N.4C9H17N.14C2H6/c3*1-8(2)11-9-4-3-5-10(11)7-6-9;3*1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-3-4-9(10)6-5-8;14*1-2/h3*8-10H,3-7H2,1-2H3;4*7-9H,3-6H2,1-2H3;14*1-2H3.
What are the key properties of 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)?
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) has a molecular weight of 1437.75 g/mol, XLogP of 28.83, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158131790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).