8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane

C21H40N4 — CID 129100657

IUPAC8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CC1CN2C(C)CCC(C)N1CC2CCC(C1)N2CC
InChIInChI=1S/C21H40N4/c1-5-22-14-21-11-20(22)15-25(21)17(4)8-7-16(3)23-12-18-9-10-19(13-23)24(18)6-2/h16-21H,5-15H2,1-4H3
InChIKeyRGBXPKPGAVWWFZ-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.49
Rot. Bonds7

About 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane

8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 129100657) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID129100657
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CC1CN2C(C)CCC(C)N1CC2CCC(C1)N2CC
InChIInChI=1S/C21H40N4/c1-5-22-14-21-11-20(22)15-25(21)17(4)8-7-16(3)23-12-18-9-10-19(13-23)24(18)6-2/h16-21H,5-15H2,1-4H3
InChIKeyRGBXPKPGAVWWFZ-UHFFFAOYSA-N
XLogP2.49
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane (CID 129100657) is 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane is CCN1CC2CC1CN2C(C)CCC(C)N1CC2CCC(C1)N2CC.
What is the InChIKey of 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is RGBXPKPGAVWWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-5-22-14-21-11-20(22)15-25(21)17(4)8-7-16(3)23-12-18-9-10-19(13-23)24(18)6-2/h16-21H,5-15H2,1-4H3.
What are the key properties of 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?
8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 348.58 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[5-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 129100657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).