(1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane

C109H208N10 — CID 167606909

IUPAC(1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane
SMILESCC(C)(C)C1C2CCC1CNC2.CC(C)(C)C1CC2CCC(C1)N2.CC(C)(C)C1CNCC12CC2.CC(C)(C)C1C[C@@H]2CC[C@H]1N2.CC(C)(C)C1C[C@H]2CC[C@H]1N2.CN1C2CCC1C(C(C)(C)C)C2.CN1C2CCC1CC(C(C)(C)C)C2.CN1CC(C(C)(C)C)C2(CC2)C1.CN1CC2CCC(C1)C2C(C)(C)C.CN1CC2CCC1C2C(C)(C)C
InChIInChI=1S/2C12H23N.5C11H21N.3C10H19N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-12(2,3)11-9-5-6-10(11)8-13(4)7-9;1-10(2,3)9-7-12(4)8-11(9)5-6-11;1-11(2,3)9-7-8-5-6-10(9)12(8)4;1-11(2,3)10-8-5-6-9(10)12(4)7-8;1-11(2,3)8-6-9-4-5-10(7-8)12-9;1-11(2,3)10-8-4-5-9(10)7-12-6-8;1-9(2,3)8-6-11-7-10(8)4-5-10;2*1-10(2,3)8-6-7-4-5-9(8)11-7/h2*9-11H,5-8H2,1-4H3;9H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;2*8-10,12H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;2*7-9,11H,4-6H2,1-3H3/t;;;;;;;;7-,8?,9+;7-,8?,9-/m........01/s1
InChIKeyKMTMZERPPAODPF-BFRPCTRYSA-N
MW1658.93 g/mol
LogP24.01
Rot. Bonds

About (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane

(1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane (PubChem CID 167606909) has the molecular formula C109H208N10 and a molecular weight of 1658.93 g/mol. Its IUPAC name is (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane
PubChem CID167606909
Molecular FormulaC109H208N10
Molecular Weight1658.93 g/mol
Exact Mass1657.66
IUPAC Name(1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane
SMILESCC(C)(C)C1C2CCC1CNC2.CC(C)(C)C1CC2CCC(C1)N2.CC(C)(C)C1CNCC12CC2.CC(C)(C)C1C[C@@H]2CC[C@H]1N2.CC(C)(C)C1C[C@H]2CC[C@H]1N2.CN1C2CCC1C(C(C)(C)C)C2.CN1C2CCC1CC(C(C)(C)C)C2.CN1CC(C(C)(C)C)C2(CC2)C1.CN1CC2CCC(C1)C2C(C)(C)C.CN1CC2CCC1C2C(C)(C)C
InChIInChI=1S/2C12H23N.5C11H21N.3C10H19N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-12(2,3)11-9-5-6-10(11)8-13(4)7-9;1-10(2,3)9-7-12(4)8-11(9)5-6-11;1-11(2,3)9-7-8-5-6-10(9)12(8)4;1-11(2,3)10-8-5-6-9(10)12(4)7-8;1-11(2,3)8-6-9-4-5-10(7-8)12-9;1-11(2,3)10-8-4-5-9(10)7-12-6-8;1-9(2,3)8-6-11-7-10(8)4-5-10;2*1-10(2,3)8-6-7-4-5-9(8)11-7/h2*9-11H,5-8H2,1-4H3;9H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;2*8-10,12H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;2*7-9,11H,4-6H2,1-3H3/t;;;;;;;;7-,8?,9+;7-,8?,9-/m........01/s1
InChIKeyKMTMZERPPAODPF-BFRPCTRYSA-N
XLogP24.01
TPSA76.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001658.93
LogP ≤ 524.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane 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
Bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane
CID 163916774
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 (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane?
The IUPAC name of (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane (CID 167606909) is (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane?
The canonical SMILES for (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane is CC(C)(C)C1C2CCC1CNC2.CC(C)(C)C1CC2CCC(C1)N2.CC(C)(C)C1CNCC12CC2.CC(C)(C)C1C[C@@H]2CC[C@H]1N2.CC(C)(C)C1C[C@H]2CC[C@H]1N2.CN1C2CCC1C(C(C)(C)C)C2.CN1C2CCC1CC(C(C)(C)C)C2.CN1CC(C(C)(C)C)C2(CC2)C1.CN1CC2CCC(C1)C2C(C)(C)C.CN1CC2CCC1C2C(C)(C)C.
What is the InChIKey of (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane?
The InChIKey is KMTMZERPPAODPF-BFRPCTRYSA-N. The full InChI is InChI=1S/2C12H23N.5C11H21N.3C10H19N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-12(2,3)11-9-5-6-10(11)8-13(4)7-9;1-10(2,3)9-7-12(4)8-11(9)5-6-11;1-11(2,3)9-7-8-5-6-10(9)12(8)4;1-11(2,3)10-8-5-6-9(10)12(4)7-8;1-11(2,3)8-6-9-4-5-10(7-8)12-9;1-11(2,3)10-8-4-5-9(10)7-12-6-8;1-9(2,3)8-6-11-7-10(8)4-5-10;2*1-10(2,3)8-6-7-4-5-9(8)11-7/h2*9-11H,5-8H2,1-4H3;9H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;2*8-10,12H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;2*7-9,11H,4-6H2,1-3H3/t;;;;;;;;7-,8?,9+;7-,8?,9-/m........01/s1.
What are the key properties of (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane?
(1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane has a molecular weight of 1658.93 g/mol, XLogP of 24.01, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 167606909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).