3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane

C20H36N2 — CID 129146211

IUPAC3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CCC1C2CN(CCC(C)(C)N3CC4CC4C3)CC12
InChIInChI=1S/C20H36N2/c1-14(2)5-6-17-18-12-21(13-19(17)18)8-7-20(3,4)22-10-15-9-16(15)11-22/h14-19H,5-13H2,1-4H3
InChIKeyWGVKWRMGTXNWRT-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.72
Rot. Bonds7

About 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane

3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 129146211) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane
PubChem CID129146211
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CCC1C2CN(CCC(C)(C)N3CC4CC4C3)CC12
InChIInChI=1S/C20H36N2/c1-14(2)5-6-17-18-12-21(13-19(17)18)8-7-20(3,4)22-10-15-9-16(15)11-22/h14-19H,5-13H2,1-4H3
InChIKeyWGVKWRMGTXNWRT-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane (CID 129146211) is 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane is CC(C)CCC1C2CN(CCC(C)(C)N3CC4CC4C3)CC12.
What is the InChIKey of 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is WGVKWRMGTXNWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-14(2)5-6-17-18-12-21(13-19(17)18)8-7-20(3,4)22-10-15-9-16(15)11-22/h14-19H,5-13H2,1-4H3.
What are the key properties of 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane?
3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 304.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutyl]-6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129146211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).