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

C14H27NO — CID 124723853

IUPAC(2S)-1-[(1R,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-DYEKYZERSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds3

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

(2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol (PubChem CID 124723853) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol
PubChem CID124723853
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2S)-1-[(1R,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-DYEKYZERSA-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 (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol with MolForge

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Related Compounds

(1S,5S)-1,3,3-trimethyl-6-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-6-azabicyclo[3.2.1]octane
CID 98126003
(2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 8008086
1-[4-[(2R)-2-hydroxy-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propoxy]phenyl]propan-1-one
CID 124723257
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 98671631
(2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 2360061
1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
CID 82216582
1-(3,4-dimethylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
CID 82215778
3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propanoic acid
CID 50932554
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 124719155
(1S,2S,3R)-1-[4-(hydroxymethyl)phenyl]-2-methyl-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butane-1,3-diol
CID 6708353
3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propanamide
CID 2502625
1,3,3-trimethyl-6-[[(2R)-oxiran-2-yl]methyl]-6-azabicyclo[3.2.1]octane
CID 130848658

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol?
The IUPAC name of (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol (CID 124723853) is (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[(1R,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 (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol?
The InChIKey is XIXPVYLUIZUNDK-DYEKYZERSA-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 (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol?
(2S)-1-[(1R,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 (2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol is sourced from PubChem (CID 124723853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).