3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane

C12H24N2 — CID 129128633

IUPAC3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1C2CCC1CN(C(C)(C)C)C2
InChIInChI=1S/C12H24N2/c1-5-14-10-6-7-11(14)9-13(8-10)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyRITGOVXETSYRHI-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.95
Rot. Bonds1

About 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane

3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 129128633) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID129128633
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1C2CCC1CN(C(C)(C)C)C2
InChIInChI=1S/C12H24N2/c1-5-14-10-6-7-11(14)9-13(8-10)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyRITGOVXETSYRHI-UHFFFAOYSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane (CID 129128633) is 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane is CCN1C2CCC1CN(C(C)(C)C)C2.
What is the InChIKey of 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is RITGOVXETSYRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-14-10-6-7-11(14)9-13(8-10)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane?
3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 196.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-ethyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 129128633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).