7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)

C23H43N3 — CID 160737728

IUPAC7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)
SMILESCN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CC2CCC1CC2
InChIInChI=1S/2C8H15N.C7H13N/c2*1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyRVEFHOQEWKHSTQ-UHFFFAOYSA-N
MW361.62 g/mol
LogP4.22
Rot. Bonds

About 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)

7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane) (PubChem CID 160737728) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane).

Molecular Properties

Compound Name7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)
PubChem CID160737728
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)
SMILESCN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CC2CCC1CC2
InChIInChI=1S/2C8H15N.C7H13N/c2*1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyRVEFHOQEWKHSTQ-UHFFFAOYSA-N
XLogP4.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane) with MolForge

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Related Compounds

Ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 143143747
Ethane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 157797372
2-Methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158361324
1-Ethyl-1-[[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium;1-ethyl-1-[[4-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]cyclohexyl]methyl]pyrrolidin-1-ium;1-methyl-1-[[4-[(1-methylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium
CID 161164935
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 161373365

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)?
The IUPAC name of 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane) (CID 160737728) is 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane).
What is the SMILES notation for 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)?
The canonical SMILES for 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane) is CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CC2CCC1CC2.
What is the InChIKey of 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)?
The InChIKey is RVEFHOQEWKHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N.C7H13N/c2*1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)?
7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane) has a molecular weight of 361.62 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane) is sourced from PubChem (CID 160737728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).