2,6-diethyl-1-azabicyclo[2.2.1]heptane

C10H19N — CID 21354306

IUPAC2,6-diethyl-1-azabicyclo[2.2.1]heptane
SMILESCCC1CC2CC(CC)N1C2
InChIInChI=1S/C10H19N/c1-3-9-5-8-6-10(4-2)11(9)7-8/h8-10H,3-7H2,1-2H3
InChIKeyCQRVMQIKNGXZBP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds2

About 2,6-diethyl-1-azabicyclo[2.2.1]heptane

2,6-diethyl-1-azabicyclo[2.2.1]heptane (PubChem CID 21354306) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,6-diethyl-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,6-diethyl-1-azabicyclo[2.2.1]heptane
PubChem CID21354306
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,6-diethyl-1-azabicyclo[2.2.1]heptane
SMILESCCC1CC2CC(CC)N1C2
InChIInChI=1S/C10H19N/c1-3-9-5-8-6-10(4-2)11(9)7-8/h8-10H,3-7H2,1-2H3
InChIKeyCQRVMQIKNGXZBP-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,6-diethyl-1-azabicyclo[2.2.1]heptane (CID 21354306) is 2,6-diethyl-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,6-diethyl-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,6-diethyl-1-azabicyclo[2.2.1]heptane is CCC1CC2CC(CC)N1C2.
What is the InChIKey of 2,6-diethyl-1-azabicyclo[2.2.1]heptane?
The InChIKey is CQRVMQIKNGXZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-9-5-8-6-10(4-2)11(9)7-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,6-diethyl-1-azabicyclo[2.2.1]heptane?
2,6-diethyl-1-azabicyclo[2.2.1]heptane has a molecular weight of 153.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 21354306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).