6-propan-2-yl-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

C25H48N4 — CID 138492473

IUPAC6-propan-2-yl-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)N1CC2CCCC1CN2C(C)CCC(C)N1CC2CCC1CN2C(C)C
InChIInChI=1S/C25H48N4/c1-18(2)26-14-23-9-7-8-22(26)16-28(23)20(5)10-11-21(6)29-17-24-12-13-25(29)15-27(24)19(3)4/h18-25H,7-17H2,1-6H3
InChIKeyFLKNHHGSCYNNKJ-UHFFFAOYSA-N
MW404.69 g/mol
LogP4.05
Rot. Bonds7

About 6-propan-2-yl-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-propan-2-yl-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 138492473) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 6-propan-2-yl-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-propan-2-yl-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 CID138492473
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name6-propan-2-yl-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)N1CC2CCCC1CN2C(C)CCC(C)N1CC2CCC1CN2C(C)C
InChIInChI=1S/C25H48N4/c1-18(2)26-14-23-9-7-8-22(26)16-28(23)20(5)10-11-21(6)29-17-24-12-13-25(29)15-27(24)19(3)4/h18-25H,7-17H2,1-6H3
InChIKeyFLKNHHGSCYNNKJ-UHFFFAOYSA-N
XLogP4.05
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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 138492473) is 6-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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)N1CC2CCCC1CN2C(C)CCC(C)N1CC2CCC1CN2C(C)C.
What is the InChIKey of 6-propan-2-yl-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 FLKNHHGSCYNNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4/c1-18(2)26-14-23-9-7-8-22(26)16-28(23)20(5)10-11-21(6)29-17-24-12-13-25(29)15-27(24)19(3)4/h18-25H,7-17H2,1-6H3.
What are the key properties of 6-propan-2-yl-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-propan-2-yl-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 404.69 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-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 138492473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).