[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol

C8H15NO — CID 54244939

IUPAC[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESCN1[C@H]2CC[C@H](C2)[C@H]1CO
InChIInChI=1S/C8H15NO/c1-9-7-3-2-6(4-7)8(9)5-10/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyQSOYICIXDIUSGQ-GJMOJQLCSA-N
MW141.21 g/mol
LogP0.46
Rot. Bonds1

About [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol

[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol (PubChem CID 54244939) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
PubChem CID54244939
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESCN1[C@H]2CC[C@H](C2)[C@H]1CO
InChIInChI=1S/C8H15NO/c1-9-7-3-2-6(4-7)8(9)5-10/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyQSOYICIXDIUSGQ-GJMOJQLCSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,4S)-2-azabicyclo(2.2.1)heptan-3-ylmethanol
CID 11480448
3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 118940547
[(3R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 154643852
((1S,3R,4R)-2-(2-Fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl)methanol
CID 154644167
[(3R,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 154984387
[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 154990503
((1S,3R,4R)-2-(2,2-Difluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl)methanol
CID 155211270
[(1S,3R,4S)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 155233333
[2-(2-Fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 168880967
((1S,3R,4R)-2-Methyl-2-azabicyclo[2.2.1]heptan-3-yl)methanol
CID 10582877
2-Azabicyclo[2.2.1]heptan-3-ylmethanol
CID 20740870
(2-Propan-2-yl-2-azabicyclo[2.2.1]heptan-3-yl)methanol
CID 85287680

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The IUPAC name of [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol (CID 54244939) is [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol is CN1[C@H]2CC[C@H](C2)[C@H]1CO.
What is the InChIKey of [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The InChIKey is QSOYICIXDIUSGQ-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-7-3-2-6(4-7)8(9)5-10/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol is sourced from PubChem (CID 54244939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).