bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane

C21H39N3 — CID 157105896

IUPACbis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane
SMILESCN1C2CCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1C2
InChIInChI=1S/3C7H13N/c2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h3*6-7H,2-5H2,1H3
InChIKeyAGHJEARPJOKHAC-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.44
Rot. Bonds

About bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane

bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane (PubChem CID 157105896) has the molecular formula C21H39N3 and a molecular weight of 333.56 g/mol. Its IUPAC name is bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Namebis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane
PubChem CID157105896
Molecular FormulaC21H39N3
Molecular Weight333.56 g/mol
Exact Mass333.31
IUPAC Namebis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane
SMILESCN1C2CCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1C2
InChIInChI=1S/3C7H13N/c2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h3*6-7H,2-5H2,1H3
InChIKeyAGHJEARPJOKHAC-UHFFFAOYSA-N
XLogP3.44
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 158823109
(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 168395222

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane (CID 157105896) is bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane is CN1C2CCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1C2.
What is the InChIKey of bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is AGHJEARPJOKHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H13N/c2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h3*6-7H,2-5H2,1H3.
What are the key properties of bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane?
bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 333.56 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 157105896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).