4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane

C18H34N4 — CID 166723896

IUPAC4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane
SMILESCCN1CC(CC(C)N2CCN3CCC2CC3)N2CCC1C2
InChIInChI=1S/C18H34N4/c1-3-20-14-18(21-9-6-17(20)13-21)12-15(2)22-11-10-19-7-4-16(22)5-8-19/h15-18H,3-14H2,1-2H3
InChIKeyQKQCIWNOIIHRMR-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.32
Rot. Bonds4

About 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane

4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane (PubChem CID 166723896) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane
PubChem CID166723896
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane
SMILESCCN1CC(CC(C)N2CCN3CCC2CC3)N2CCC1C2
InChIInChI=1S/C18H34N4/c1-3-20-14-18(21-9-6-17(20)13-21)12-15(2)22-11-10-19-7-4-16(22)5-8-19/h15-18H,3-14H2,1-2H3
InChIKeyQKQCIWNOIIHRMR-UHFFFAOYSA-N
XLogP1.32
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane?
The IUPAC name of 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane (CID 166723896) is 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane is CCN1CC(CC(C)N2CCN3CCC2CC3)N2CCC1C2.
What is the InChIKey of 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane?
The InChIKey is QKQCIWNOIIHRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-3-20-14-18(21-9-6-17(20)13-21)12-15(2)22-11-10-19-7-4-16(22)5-8-19/h15-18H,3-14H2,1-2H3.
What are the key properties of 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane?
4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane has a molecular weight of 306.50 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethyl-1,4-diazabicyclo[3.2.1]octan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 166723896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).