2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane

C14H28N2 — CID 134254346

IUPAC2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane
SMILESCCC1CCC(CC)C2(C)NCC(C)C1N2
InChIInChI=1S/C14H28N2/c1-5-11-7-8-12(6-2)14(4)15-9-10(3)13(11)16-14/h10-13,15-16H,5-9H2,1-4H3
InChIKeyWYYHIMCYBWTGBG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.75
Rot. Bonds2

About 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane

2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane (PubChem CID 134254346) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane.

Molecular Properties

Compound Name2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane
PubChem CID134254346
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane
SMILESCCC1CCC(CC)C2(C)NCC(C)C1N2
InChIInChI=1S/C14H28N2/c1-5-11-7-8-12(6-2)14(4)15-9-10(3)13(11)16-14/h10-13,15-16H,5-9H2,1-4H3
InChIKeyWYYHIMCYBWTGBG-UHFFFAOYSA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane?
The IUPAC name of 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane (CID 134254346) is 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane.
What is the SMILES notation for 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane?
The canonical SMILES for 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane is CCC1CCC(CC)C2(C)NCC(C)C1N2.
What is the InChIKey of 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane?
The InChIKey is WYYHIMCYBWTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-11-7-8-12(6-2)14(4)15-9-10(3)13(11)16-14/h10-13,15-16H,5-9H2,1-4H3.
What are the key properties of 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane?
2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane has a molecular weight of 224.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane is sourced from PubChem (CID 134254346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).