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

C12H24N2 — CID 129129466

IUPAC8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C12H24N2/c1-5-13-8-10-6-7-11(9-13)14(10)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyJCWWHKWSZOHCEC-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.95
Rot. Bonds1

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

8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 129129466) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID129129466
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C12H24N2/c1-5-13-8-10-6-7-11(9-13)14(10)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyJCWWHKWSZOHCEC-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 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane (CID 129129466) is 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane is CCN1CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is JCWWHKWSZOHCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-13-8-10-6-7-11(9-13)14(10)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane?
8-tert-butyl-3-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 8-tert-butyl-3-ethyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 129129466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).