2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane

C14H28N2 — CID 129193409

IUPAC2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)CN1CC2CCC1CN2CC(C)C
InChIInChI=1S/C14H28N2/c1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyAVCLOCMDZNNOCW-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.45
Rot. Bonds4

About 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane

2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane (PubChem CID 129193409) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
PubChem CID129193409
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)CN1CC2CCC1CN2CC(C)C
InChIInChI=1S/C14H28N2/c1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyAVCLOCMDZNNOCW-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane (CID 129193409) is 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane is CC(C)CN1CC2CCC1CN2CC(C)C.
What is the InChIKey of 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is AVCLOCMDZNNOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)7-15-9-14-6-5-13(15)10-16(14)8-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane?
2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 224.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 129193409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).