3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol

C12H23NO — CID 121385798

IUPAC3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol
SMILESCC(C)(C)C1[C@H]2CN(CCCO)C[C@@H]12
InChIInChI=1S/C12H23NO/c1-12(2,3)11-9-7-13(5-4-6-14)8-10(9)11/h9-11,14H,4-8H2,1-3H3/t9-,10+,11?
InChIKeyWMUGQGIFZZIELA-ZACCUICWSA-N
MW197.32 g/mol
LogP1.59
Rot. Bonds3

About 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol

3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol (PubChem CID 121385798) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol
PubChem CID121385798
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol
SMILESCC(C)(C)C1[C@H]2CN(CCCO)C[C@@H]12
InChIInChI=1S/C12H23NO/c1-12(2,3)11-9-7-13(5-4-6-14)8-10(9)11/h9-11,14H,4-8H2,1-3H3/t9-,10+,11?
InChIKeyWMUGQGIFZZIELA-ZACCUICWSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol with MolForge

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Related Compounds

5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol
CID 130708552
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124
3-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-1-ol
CID 130706209
3-[(3aS,6aR)-5-amino-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 118533669
3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol
CID 139643715
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
1-(6-hydroxyhexyl)azetidin-3-ol
CID 107706453
3-tert-butyl-3-azabicyclo[3.1.0]hexane;3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol;(1R,5S)-6-tert-butyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane;3-tert-butyl-1-(oxetan-3-yl)azetidine;1-propan-2-ylazetidine;(4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 161087369
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol
CID 141044637
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol?
The IUPAC name of 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol (CID 121385798) is 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol?
The canonical SMILES for 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol is CC(C)(C)C1[C@H]2CN(CCCO)C[C@@H]12.
What is the InChIKey of 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol?
The InChIKey is WMUGQGIFZZIELA-ZACCUICWSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)11-9-7-13(5-4-6-14)8-10(9)11/h9-11,14H,4-8H2,1-3H3/t9-,10+,11?.
What are the key properties of 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol?
3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol is sourced from PubChem (CID 121385798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).