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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Related Compounds

(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
CID 43810977
5-tert-butyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 170939617
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
CID 70790415
(1S,4S)-2-(1-tert-butylpiperidin-4-yl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
CID 171736034
(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
CID 139039444
2-tert-butyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 154651567
2-tert-butyl-6-ethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 118901669

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).