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

C39H69N3 — CID 159781627

IUPAC1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane
SMILESC1CC2CC1C2.C1CC2CC1N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CN2CCC1C2.C1CN2CCC1CC2
InChIInChI=1S/C8H14.C7H13N.C7H12.C6H11N.C6H10.C5H9N/c1-2-8-5-3-7(1)4-6-8;1-4-8-5-2-7(1)3-6-8;1-2-7-4-3-6(1)5-7;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-6;1-2-5-3-4(1)6-5/h7-8H,1-6H2;7H,1-6H2;6-7H,1-5H2;6H,1-5H2;5-6H,1-4H2;4-6H,1-3H2
InChIKeyNHKWIHKCCIHOBA-UHFFFAOYSA-N
MW580.00 g/mol
LogP8.91
Rot. Bonds

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

1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane (PubChem CID 159781627) has the molecular formula C39H69N3 and a molecular weight of 580.00 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane
PubChem CID159781627
Molecular FormulaC39H69N3
Molecular Weight580.00 g/mol
Exact Mass579.55
IUPAC Name1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane
SMILESC1CC2CC1C2.C1CC2CC1N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CN2CCC1C2.C1CN2CCC1CC2
InChIInChI=1S/C8H14.C7H13N.C7H12.C6H11N.C6H10.C5H9N/c1-2-8-5-3-7(1)4-6-8;1-4-8-5-2-7(1)3-6-8;1-2-7-4-3-6(1)5-7;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-6;1-2-5-3-4(1)6-5/h7-8H,1-6H2;7H,1-6H2;6-7H,1-5H2;6H,1-5H2;5-6H,1-4H2;4-6H,1-3H2
InChIKeyNHKWIHKCCIHOBA-UHFFFAOYSA-N
XLogP8.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.00
LogP ≤ 58.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
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
1,4-diethylcyclohexane;(5S)-2,5-dimethyl-2-azabicyclo[2.2.1]heptane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane
CID 167538417
3,9-dimethyl-3-azaspiro[5.5]undecane;3-ethyl-8-methyl-8-azaspiro[4.5]decane;8-ethyl-2-methyl-2-azaspiro[4.5]decane;6-ethyl-2-methyl-2-azaspiro[3.3]heptane;2-ethyl-7-methyl-7-azaspiro[3.5]nonane;7-ethyl-2-methyl-2-azaspiro[3.5]nonane;8-ethyl-2-methyl-2-azaspiro[4.4]nonane;2-ethyl-6-methyl-6-azaspiro[3.4]octane;6-ethyl-2-methyl-2-azaspiro[3.4]octane;3-ethyl-N-methylspiro[4.5]decan-8-amine;6-ethyl-N-methylspiro[3.3]heptan-2-amine;2-ethyl-N-methylspiro[3.5]nonan-7-amine;7-ethyl-N-methylspiro[3.5]nonan-2-amine;8-ethyl-N-methylspiro[4.4]nonan-3-amine;2-ethyl-N-methylspiro[3.4]octan-7-amine;7-ethyl-N-methylspiro[3.4]octan-2-amine;N-methyl-1-(8-methylspiro[4.5]decan-3-yl)methanamine;9-methyl-3-propylspiro[5.5]undecane
CID 167668820

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane?
The IUPAC name of 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane (CID 159781627) is 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane?
The canonical SMILES for 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane is C1CC2CC1C2.C1CC2CC1N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CN2CCC1C2.C1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane?
The InChIKey is NHKWIHKCCIHOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C7H13N.C7H12.C6H11N.C6H10.C5H9N/c1-2-8-5-3-7(1)4-6-8;1-4-8-5-2-7(1)3-6-8;1-2-7-4-3-6(1)5-7;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-6;1-2-5-3-4(1)6-5/h7-8H,1-6H2;7H,1-6H2;6-7H,1-5H2;6H,1-5H2;5-6H,1-4H2;4-6H,1-3H2.
What are the key properties of 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane?
1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane has a molecular weight of 580.00 g/mol, XLogP of 8.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;1-azabicyclo[2.2.2]octane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane is sourced from PubChem (CID 159781627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).