6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane

C23H44N4 — CID 138492480

IUPAC6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane
SMILESCC(C)N1CC2CCC1CN2C(C)CCC(C)N1CC2CCCC1CN2C
InChIInChI=1S/C23H44N4/c1-17(2)25-15-23-12-11-22(25)16-27(23)19(4)10-9-18(3)26-14-20-7-6-8-21(26)13-24(20)5/h17-23H,6-16H2,1-5H3
InChIKeyIARKVHRCNYUMOB-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.27
Rot. Bonds6

About 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane

6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane (PubChem CID 138492480) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane
PubChem CID138492480
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane
SMILESCC(C)N1CC2CCC1CN2C(C)CCC(C)N1CC2CCCC1CN2C
InChIInChI=1S/C23H44N4/c1-17(2)25-15-23-12-11-22(25)16-27(23)19(4)10-9-18(3)26-14-20-7-6-8-21(26)13-24(20)5/h17-23H,6-16H2,1-5H3
InChIKeyIARKVHRCNYUMOB-UHFFFAOYSA-N
XLogP3.27
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane?
The IUPAC name of 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane (CID 138492480) is 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane is CC(C)N1CC2CCC1CN2C(C)CCC(C)N1CC2CCCC1CN2C.
What is the InChIKey of 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane?
The InChIKey is IARKVHRCNYUMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-17(2)25-15-23-12-11-22(25)16-27(23)19(4)10-9-18(3)26-14-20-7-6-8-21(26)13-24(20)5/h17-23H,6-16H2,1-5H3.
What are the key properties of 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane?
6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane has a molecular weight of 376.63 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)hexan-2-yl]-6,8-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 138492480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).