5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane

C57H105N7 — CID 169424053

IUPAC5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane
SMILESCC12CC3CNC(CC(C3)C1)C2.CC1C2CCC1NC2.CC1CC2CC1CN2.CC1CC2CCC(C1)N2.CC1CC2CCC1CNC2.CC1CC2CNC(C1)C2.CC1CC2CNC1C2
InChIInChI=1S/C11H19N.C9H17N.2C8H15N.3C7H13N/c1-11-4-8-2-9(5-11)7-12-10(3-8)6-11;1-7-4-8-2-3-9(7)6-10-5-8;1-6-2-7-4-8(3-6)9-5-7;1-6-4-7-2-3-8(5-6)9-7;1-5-2-7-3-6(5)4-8-7;1-5-2-6-3-7(5)8-4-6;1-5-6-2-3-7(5)8-4-6/h8-10,12H,2-7H2,1H3;7-10H,2-6H2,1H3;2*6-9H,2-5H2,1H3;3*5-8H,2-4H2,1H3
InChIKeyBHKFFJNYOUIMLL-UHFFFAOYSA-N
MW888.52 g/mol
LogP9.76
Rot. Bonds

About 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane

5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane (PubChem CID 169424053) has the molecular formula C57H105N7 and a molecular weight of 888.52 g/mol. Its IUPAC name is 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane
PubChem CID169424053
Molecular FormulaC57H105N7
Molecular Weight888.52 g/mol
Exact Mass887.84
IUPAC Name5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane
SMILESCC12CC3CNC(CC(C3)C1)C2.CC1C2CCC1NC2.CC1CC2CC1CN2.CC1CC2CCC(C1)N2.CC1CC2CCC1CNC2.CC1CC2CNC(C1)C2.CC1CC2CNC1C2
InChIInChI=1S/C11H19N.C9H17N.2C8H15N.3C7H13N/c1-11-4-8-2-9(5-11)7-12-10(3-8)6-11;1-7-4-8-2-3-9(7)6-10-5-8;1-6-2-7-4-8(3-6)9-5-7;1-6-4-7-2-3-8(5-6)9-7;1-5-2-7-3-6(5)4-8-7;1-5-2-6-3-7(5)8-4-6;1-5-6-2-3-7(5)8-4-6/h8-10,12H,2-7H2,1H3;7-10H,2-6H2,1H3;2*6-9H,2-5H2,1H3;3*5-8H,2-4H2,1H3
InChIKeyBHKFFJNYOUIMLL-UHFFFAOYSA-N
XLogP9.76
TPSA84.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500888.52
LogP ≤ 59.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane?
The IUPAC name of 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane (CID 169424053) is 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane?
The canonical SMILES for 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane is CC12CC3CNC(CC(C3)C1)C2.CC1C2CCC1NC2.CC1CC2CC1CN2.CC1CC2CCC(C1)N2.CC1CC2CCC1CNC2.CC1CC2CNC(C1)C2.CC1CC2CNC1C2.
What is the InChIKey of 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane?
The InChIKey is BHKFFJNYOUIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.C9H17N.2C8H15N.3C7H13N/c1-11-4-8-2-9(5-11)7-12-10(3-8)6-11;1-7-4-8-2-3-9(7)6-10-5-8;1-6-2-7-4-8(3-6)9-5-7;1-6-4-7-2-3-8(5-6)9-7;1-5-2-7-3-6(5)4-8-7;1-5-2-6-3-7(5)8-4-6;1-5-6-2-3-7(5)8-4-6/h8-10,12H,2-7H2,1H3;7-10H,2-6H2,1H3;2*6-9H,2-5H2,1H3;3*5-8H,2-4H2,1H3.
What are the key properties of 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane?
5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane has a molecular weight of 888.52 g/mol, XLogP of 9.76, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 169424053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).