3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C78H163N9 — CID 157383484

IUPAC3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESC.C.C.C.C.C.C.C.C.C1CC2CC1CN2.C1CC2CCC(C1)CNC2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1
InChIInChI=1S/C10H17N.C10H19N.C9H17N.4C7H13N.2C6H11N.9CH4/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-2-8-4-5-9(3-1)7-10-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;;;;;;;;;/h7-11H,1-6H2;8,11H,4-7H2,1-3H3;8-10H,1-7H2;4*6-8H,1-5H2;2*5-7H,1-4H2;9*1H4
InChIKeyBLDSSPUFRCZPLN-UHFFFAOYSA-N
MW1227.22 g/mol
LogP17.72
Rot. Bonds

About 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 157383484) has the molecular formula C78H163N9 and a molecular weight of 1227.22 g/mol. Its IUPAC name is 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
PubChem CID157383484
Molecular FormulaC78H163N9
Molecular Weight1227.22 g/mol
Exact Mass1226.30
IUPAC Name3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESC.C.C.C.C.C.C.C.C.C1CC2CC1CN2.C1CC2CCC(C1)CNC2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1
InChIInChI=1S/C10H17N.C10H19N.C9H17N.4C7H13N.2C6H11N.9CH4/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-2-8-4-5-9(3-1)7-10-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;;;;;;;;;/h7-11H,1-6H2;8,11H,4-7H2,1-3H3;8-10H,1-7H2;4*6-8H,1-5H2;2*5-7H,1-4H2;9*1H4
InChIKeyBLDSSPUFRCZPLN-UHFFFAOYSA-N
XLogP17.72
TPSA108.27 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.22
LogP ≤ 517.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

Adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
CID 157424933
Bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-2-azabicyclo[2.2.1]heptane;6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-6-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;4-methyl-6-azabicyclo[3.2.1]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane
CID 157455401
Bis(5-methyl-2-azabicyclo[2.2.1]heptane);bis(6-methyl-2-azabicyclo[2.2.1]heptane);bis(7-methyl-2-azabicyclo[2.2.1]heptane);6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-8-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;6-methyl-2-azabicyclo[2.2.2]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane
CID 158447329
5-Methyl-2-azabicyclo[2.2.1]heptane;6-methyl-2-azabicyclo[2.2.1]heptane;bis(7-methyl-2-azabicyclo[2.2.1]heptane);6-methyl-3-azabicyclo[3.2.2]nonane;2-methyl-8-azabicyclo[3.2.1]octane;3-methyl-6-azabicyclo[3.2.1]octane;3-methyl-8-azabicyclo[3.2.1]octane;6-methyl-2-azabicyclo[2.2.2]octane;1-methyl-4-azatricyclo[4.3.1.13,8]undecane
CID 159579473
3-Azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;bicyclo[3.2.1]octane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 161368865
3-Azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 162166370
1,4-dimethyl-4-(2-methylpropyl)piperidine;2,6-dimethyl-4-(2-methylpropyl)piperidine;4-ethyl-1-methyl-4-(2-methylpropyl)piperidine;1-ethyl-1-(2-methylpropyl)cyclohexane;methane;bis((1S,5R)-8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane);8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-4-(2-methylpropyl)azepane;4-methyl-4-(2-methylpropyl)piperidine;bis((1S,5R)-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane);4-(2-methylpropyl)azepane;3-(2-methylpropyl)bicyclo[3.2.1]octane;4-(2-methylpropyl)-1-propylpiperidine
CID 167600755
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

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (CID 157383484) is 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is C.C.C.C.C.C.C.C.C.C1CC2CC1CN2.C1CC2CCC(C1)CNC2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.
What is the InChIKey of 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is BLDSSPUFRCZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C10H19N.C9H17N.4C7H13N.2C6H11N.9CH4/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-2-8-4-5-9(3-1)7-10-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6;1-2-6-4-5-7(3-1)8-6;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;;;;;;;;;/h7-11H,1-6H2;8,11H,4-7H2,1-3H3;8-10H,1-7H2;4*6-8H,1-5H2;2*5-7H,1-4H2;9*1H4.
What are the key properties of 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 1227.22 g/mol, XLogP of 17.72, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.2]decane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 157383484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).