(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane

C99H188N8 — CID 159980143

About (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane

(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane (PubChem CID 159980143) has the molecular formula C99H188N8 and a molecular weight of 1490.65 g/mol. Its IUPAC name is (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane
• PubChem CID: 159980143
• Molecular Formula: C99H188N8
• Molecular Weight: 1490.65 g/mol
• Exact Mass: 1489.50
• IUPAC Name: (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane
• SMILES: CC(C)CC1CC2CCN(CC2)C1.CC(C)CC1CC2CC[C@H](C2)C1.CC(C)CC1CN2CCC1CC2.CC(C)C[C@@H]1CN2CCC[C@H]1C2.CC(C)C[C@@H]1CN2CC[C@H]1C2.CC(C)C[C@@H]1C[C@H]2CCN(C2)C1.CC(C)C[C@H]1CN2CCC[C@H]1C2.CC(C)C[C@H]1CN2CC[C@H]1C2.CC(C)C[C@H]1C[C@H]2CCN(C2)C1
• InChI: InChI=1S/C12H23N.C12H22.5C11H21N.2C10H19N/c1-10(2)7-12-8-11-3-5-13(9-12)6-4-11;1-9(2)5-12-7-10-3-4-11(6-10)8-12;1-9(2)7-11-8-12-5-3-10(11)4-6-12;2*1-9(2)5-11-6-10-3-4-12(7-10)8-11;2*1-9(2)6-11-8-12-5-3-4-10(11)7-12;2*1-8(2)5-10-7-11-4-3-9(10)6-11/h10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;5*9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3/t;10-,11?,12?;;10-,11+;10-,11-;10-,11+;10-,11-;9-,10+;9-,10-/m.1.110000/s1
• InChIKey: OFQQHWJFSBZXDI-MERICWTASA-N
• XLogP: 22.46
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1490.65
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane?

The IUPAC name of (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane (CID 159980143) is (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane.

What is the SMILES notation for (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane?

The canonical SMILES for (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane is CC(C)CC1CC2CCN(CC2)C1.CC(C)CC1CC2CC[C@H](C2)C1.CC(C)CC1CN2CCC1CC2.CC(C)C[C@@H]1CN2CCC[C@H]1C2.CC(C)C[C@@H]1CN2CC[C@H]1C2.CC(C)C[C@@H]1C[C@H]2CCN(C2)C1.CC(C)C[C@H]1CN2CCC[C@H]1C2.CC(C)C[C@H]1CN2CC[C@H]1C2.CC(C)C[C@H]1C[C@H]2CCN(C2)C1.

What is the InChIKey of (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane?

The InChIKey is OFQQHWJFSBZXDI-MERICWTASA-N. The full InChI is InChI=1S/C12H23N.C12H22.5C11H21N.2C10H19N/c1-10(2)7-12-8-11-3-5-13(9-12)6-4-11;1-9(2)5-12-7-10-3-4-11(6-10)8-12;1-9(2)7-11-8-12-5-3-10(11)4-6-12;2*1-9(2)5-11-6-10-3-4-12(7-10)8-11;2*1-9(2)6-11-8-12-5-3-4-10(11)7-12;2*1-8(2)5-10-7-11-4-3-9(10)6-11/h10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;5*9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3/t;10-,11?,12?;;10-,11+;10-,11-;10-,11+;10-,11-;9-,10+;9-,10-/m.1.110000/s1.

What are the key properties of (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane?

(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane has a molecular weight of 1490.65 g/mol, XLogP of 22.46, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)bicyclo[3.2.1]octane is sourced from PubChem (CID 159980143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).