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

C98H187N9 — CID 158712911

IUPAC(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
SMILESCC(C)CC1CC2CCN(CC2)C1.CC(C)CC1CN2CCC1CC2.CC(C)CC1CN2CCC[C@H]1C2.CC(C)CC1CN2CC[C@H]1C2.CC(C)CC1C[C@@H]2CCN(C1)C2.CC(C)CC1C[C@H]2CCN(C1)C2.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
InChIInChI=1S/C12H23N.6C11H21N.2C10H19N/c1-10(2)7-12-8-11-3-5-13(9-12)6-4-11;1-9(2)7-11-8-12-5-3-10(11)4-6-12;3*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;6*9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3/t;;2*10-,11?;10-,11-;10-,11?;10-,11-;9-,10?;9-,10-/m..1010000/s1
InChIKeyIIYLFNDAHNXBBP-NGCCLIKJSA-N
MW1491.64 g/mol
LogP20.98
Rot. Bonds18

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

(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane (PubChem CID 158712911) has the molecular formula C98H187N9 and a molecular weight of 1491.64 g/mol. Its IUPAC name is (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
PubChem CID158712911
Molecular FormulaC98H187N9
Molecular Weight1491.64 g/mol
Exact Mass1490.49
IUPAC Name(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
SMILESCC(C)CC1CC2CCN(CC2)C1.CC(C)CC1CN2CCC1CC2.CC(C)CC1CN2CCC[C@H]1C2.CC(C)CC1CN2CC[C@H]1C2.CC(C)CC1C[C@@H]2CCN(C1)C2.CC(C)CC1C[C@H]2CCN(C1)C2.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
InChIInChI=1S/C12H23N.6C11H21N.2C10H19N/c1-10(2)7-12-8-11-3-5-13(9-12)6-4-11;1-9(2)7-11-8-12-5-3-10(11)4-6-12;3*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;6*9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3/t;;2*10-,11?;10-,11-;10-,11?;10-,11-;9-,10?;9-,10-/m..1010000/s1
InChIKeyIIYLFNDAHNXBBP-NGCCLIKJSA-N
XLogP20.98
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms107
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001491.64
LogP ≤ 520.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane?
The IUPAC name of (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane (CID 158712911) is (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane is CC(C)CC1CC2CCN(CC2)C1.CC(C)CC1CN2CCC1CC2.CC(C)CC1CN2CCC[C@H]1C2.CC(C)CC1CN2CC[C@H]1C2.CC(C)CC1C[C@@H]2CCN(C1)C2.CC(C)CC1C[C@H]2CCN(C1)C2.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.
What is the InChIKey of (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane?
The InChIKey is IIYLFNDAHNXBBP-NGCCLIKJSA-N. The full InChI is InChI=1S/C12H23N.6C11H21N.2C10H19N/c1-10(2)7-12-8-11-3-5-13(9-12)6-4-11;1-9(2)7-11-8-12-5-3-10(11)4-6-12;3*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;6*9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3/t;;2*10-,11?;10-,11-;10-,11?;10-,11-;9-,10?;9-,10-/m..1010000/s1.
What are the key properties of (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane?
(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane has a molecular weight of 1491.64 g/mol, XLogP of 20.98, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(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;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 158712911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).