1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane

C36H66N6 — CID 158571123

IUPAC1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane
SMILESC1CC2CC1CN2.C1CC2CC1N2.C1CC2CCC1CN2.C1CN2CCC1C2.C1CN2CCC1CC2.C1NC2CC1C2
InChIInChI=1S/2C7H13N.2C6H11N.2C5H9N/c1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-7-6;1-4-2-5(1)6-3-4;1-2-5-3-4(1)6-5/h7H,1-6H2;6-8H,1-5H2;6H,1-5H2;5-7H,1-4H2;2*4-6H,1-3H2
InChIKeyHSCATCAUKDGTHH-UHFFFAOYSA-N
MW582.97 g/mol
LogP4.60
Rot. Bonds

About 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane

1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane (PubChem CID 158571123) has the molecular formula C36H66N6 and a molecular weight of 582.97 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane
PubChem CID158571123
Molecular FormulaC36H66N6
Molecular Weight582.97 g/mol
Exact Mass582.53
IUPAC Name1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane
SMILESC1CC2CC1CN2.C1CC2CC1N2.C1CC2CCC1CN2.C1CN2CCC1C2.C1CN2CCC1CC2.C1NC2CC1C2
InChIInChI=1S/2C7H13N.2C6H11N.2C5H9N/c1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-7-6;1-4-2-5(1)6-3-4;1-2-5-3-4(1)6-5/h7H,1-6H2;6-8H,1-5H2;6H,1-5H2;5-7H,1-4H2;2*4-6H,1-3H2
InChIKeyHSCATCAUKDGTHH-UHFFFAOYSA-N
XLogP4.60
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.97
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

1-Azabicyclo[2.2.1]heptane;tris(2-azabicyclo[2.2.1]heptane);1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane
CID 157158903
1-Azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.2]octane
CID 158018558
1-Azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane
CID 158830559
3-Azabicyclo[3.1.1]heptane;7-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;9-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;ethane
CID 158910213
1-Azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane
CID 159488664
1-Azabicyclo[2.2.1]heptane;bis(5-azabicyclo[2.1.1]hexane);1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;1,3-diazabicyclo[2.2.1]heptane;methane
CID 159548922
2,6-Dimethyl-2-azabicyclo[2.2.1]heptane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;6-methyl-1-azabicyclo[3.2.1]octane;3-methylazetidine
CID 160435505
1-Azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;bis(1-azabicyclo[2.2.2]octane);bicyclo[2.1.1]hexane
CID 161028630
2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine
CID 161087233
4-(3-ethylazetidin-1-yl)-1-methylpiperidine;3-(3-ethylazetidin-1-yl)-1-methylpyrrolidine;1-(3-ethylcyclopentyl)-4-methylpiperidine;3-ethyl-1-(1-methylazetidin-3-yl)azetidine;4-ethyl-1-(1-methylazetidin-3-yl)piperidine;3-ethyl-1-(1-methylazetidin-3-yl)pyrrolidine;4-ethyl-1-(1-methylpyrrolidin-3-yl)piperidine;3-ethyl-1-(1-methylpyrrolidin-3-yl)pyrrolidine;4-(3-ethylpyrrolidin-1-yl)-1-methylpiperidine;N-methyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-amine;N-methyl-4-(4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 167540051
1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;3-ethyl-1-[(3-ethylcyclobutyl)methyl]azetidine;4-ethyl-1-[(1-methylazetidin-3-yl)methyl]piperidine;4-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine;4-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine
CID 167578682
4-[(3-ethylazetidin-1-yl)methyl]-1-methylpiperidine;3-[(3-ethylazetidin-1-yl)methyl]-1-methylpyrrolidine;3-ethyl-1-[(1-methylazetidin-3-yl)methyl]azetidine;3-ethyl-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine;3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine;4-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine;4-[(3-ethylpyrrolidin-1-yl)methyl]-1-methylpiperidine;1-methyl-3-[(3-methylazetidin-1-yl)methyl]azetidine;1-methyl-4-[(3-methylazetidin-1-yl)methyl]piperidine;4-methyl-1-[(1-methylazetidin-3-yl)methyl]piperidine;1-methyl-3-[(3-methylazetidin-1-yl)methyl]pyrrolidine;(3S)-3-methyl-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine;1-methyl-4-[[(3S)-3-methylpyrrolidin-1-yl]methyl]piperidine;4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidine;1-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]pyrrolidine
CID 167684962

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane?
The IUPAC name of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane (CID 158571123) is 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane?
The canonical SMILES for 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane is C1CC2CC1CN2.C1CC2CC1N2.C1CC2CCC1CN2.C1CN2CCC1C2.C1CN2CCC1CC2.C1NC2CC1C2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane?
The InChIKey is HSCATCAUKDGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N.2C6H11N.2C5H9N/c1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-7-6;1-4-2-5(1)6-3-4;1-2-5-3-4(1)6-5/h7H,1-6H2;6-8H,1-5H2;6H,1-5H2;5-7H,1-4H2;2*4-6H,1-3H2.
What are the key properties of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane?
1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane has a molecular weight of 582.97 g/mol, XLogP of 4.60, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.1.1]hexane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 158571123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).