3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane

C11H22N2 — CID 89161716

IUPAC3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCCN1CC2CN(C(C)(C)C)CC21
InChIInChI=1S/C11H22N2/c1-5-12-6-9-7-13(8-10(9)12)11(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyZHVKYECUBWECMX-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds1

About 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane

3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 89161716) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID89161716
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCCN1CC2CN(C(C)(C)C)CC21
InChIInChI=1S/C11H22N2/c1-5-12-6-9-7-13(8-10(9)12)11(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyZHVKYECUBWECMX-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane (CID 89161716) is 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane is CCN1CC2CN(C(C)(C)C)CC21.
What is the InChIKey of 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is ZHVKYECUBWECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-12-6-9-7-13(8-10(9)12)11(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane?
3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 182.31 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 89161716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).