6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane

C22H40N2 — CID 126657948

IUPAC6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(CC1C2CN(C)CC12)CC1C2C(CCC(C)(C)C)C2CN1C
InChIInChI=1S/C22H40N2/c1-14(9-16-17-11-23(5)12-18(16)17)10-20-21-15(7-8-22(2,3)4)19(21)13-24(20)6/h14-21H,7-13H2,1-6H3
InChIKeyWEEKIDSTVHORAS-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.21
Rot. Bonds6

About 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane

6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 126657948) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane
PubChem CID126657948
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(CC1C2CN(C)CC12)CC1C2C(CCC(C)(C)C)C2CN1C
InChIInChI=1S/C22H40N2/c1-14(9-16-17-11-23(5)12-18(16)17)10-20-21-15(7-8-22(2,3)4)19(21)13-24(20)6/h14-21H,7-13H2,1-6H3
InChIKeyWEEKIDSTVHORAS-UHFFFAOYSA-N
XLogP4.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane (CID 126657948) is 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane is CC(CC1C2CN(C)CC12)CC1C2C(CCC(C)(C)C)C2CN1C.
What is the InChIKey of 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is WEEKIDSTVHORAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-14(9-16-17-11-23(5)12-18(16)17)10-20-21-15(7-8-22(2,3)4)19(21)13-24(20)6/h14-21H,7-13H2,1-6H3.
What are the key properties of 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane?
6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 332.58 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutyl)-3-methyl-2-[2-methyl-3-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)propyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 126657948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).