3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane

C22H40N2 — CID 126657940

IUPAC3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)CCC1C2CN(CCC(C)(C)CN3CC4CC4C3)CC12
InChIInChI=1S/C22H40N2/c1-21(2,3)7-6-18-19-13-23(14-20(18)19)9-8-22(4,5)15-24-11-16-10-17(16)12-24/h16-20H,6-15H2,1-5H3
InChIKeyVRUOYQFIWQPZDH-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.36
Rot. Bonds7

About 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane

3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 126657940) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
PubChem CID126657940
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)CCC1C2CN(CCC(C)(C)CN3CC4CC4C3)CC12
InChIInChI=1S/C22H40N2/c1-21(2,3)7-6-18-19-13-23(14-20(18)19)9-8-22(4,5)15-24-11-16-10-17(16)12-24/h16-20H,6-15H2,1-5H3
InChIKeyVRUOYQFIWQPZDH-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane (CID 126657940) is 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane is CC(C)(C)CCC1C2CN(CCC(C)(C)CN3CC4CC4C3)CC12.
What is the InChIKey of 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is VRUOYQFIWQPZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-21(2,3)7-6-18-19-13-23(14-20(18)19)9-8-22(4,5)15-24-11-16-10-17(16)12-24/h16-20H,6-15H2,1-5H3.
What are the key properties of 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane?
3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 332.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutyl]-6-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 126657940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).