(2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol

C14H27NO — CID 50932551

IUPAC(2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol
SMILESCC[C@@H](O)CN1C[C@]2(C)C[C@H]1CC(C)(C)C2
InChIInChI=1S/C14H27NO/c1-5-12(16)8-15-10-14(4)7-11(15)6-13(2,3)9-14/h11-12,16H,5-10H2,1-4H3/t11-,12-,14-/m1/s1
InChIKeyXIXPVYLUIZUNDK-YRGRVCCFSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds3

About (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol

(2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol (PubChem CID 50932551) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol
PubChem CID50932551
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol
SMILESCC[C@@H](O)CN1C[C@]2(C)C[C@H]1CC(C)(C)C2
InChIInChI=1S/C14H27NO/c1-5-12(16)8-15-10-14(4)7-11(15)6-13(2,3)9-14/h11-12,16H,5-10H2,1-4H3/t11-,12-,14-/m1/s1
InChIKeyXIXPVYLUIZUNDK-YRGRVCCFSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-{6-Azabicyclo[3.2.1]octan-6-yl}-3-fluoropropan-2-ol
CID 165598146
1-(1,3,3-Trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol
CID 3595892
5-(1,3,3-Trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pent-3-yn-2-ol
CID 3697915
4-(1,3,3-Trimethyl-6-azabicyclo[3.2.1]octan-6-yl)but-2-yn-1-ol
CID 3706041
(2R)-1-azido-3-[(1S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 60055600
(2S)-1-amino-3-[(1S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 60055647
(2S)-1-amino-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 69367468
1-amino-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 69367471
(2R)-1-amino-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 69367913
(2R)-1-azido-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 90934811
(2S)-1-amino-3-[(1S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol;methane
CID 157166148
(2R)-1-azido-3-[(1S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol;methane
CID 157949601

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol?
The IUPAC name of (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol (CID 50932551) is (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol is CC[C@@H](O)CN1C[C@]2(C)C[C@H]1CC(C)(C)C2.
What is the InChIKey of (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol?
The InChIKey is XIXPVYLUIZUNDK-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-12(16)8-15-10-14(4)7-11(15)6-13(2,3)9-14/h11-12,16H,5-10H2,1-4H3/t11-,12-,14-/m1/s1.
What are the key properties of (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol?
(2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol is sourced from PubChem (CID 50932551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).