1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol

C12H24N2O — CID 67773410

IUPAC1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol
SMILESCN[C@H](CN1CC(O)C1)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-13-12(9-14-7-11(15)8-14)10-5-3-2-4-6-10/h10-13,15H,2-9H2,1H3/t12-/m1/s1
InChIKeyAVQNTAZUUVGNKI-GFCCVEGCSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds4

About 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol

1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol (PubChem CID 67773410) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol
PubChem CID67773410
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol
SMILESCN[C@H](CN1CC(O)C1)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-13-12(9-14-7-11(15)8-14)10-5-3-2-4-6-10/h10-13,15H,2-9H2,1H3/t12-/m1/s1
InChIKeyAVQNTAZUUVGNKI-GFCCVEGCSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol?
The IUPAC name of 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol (CID 67773410) is 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol?
The canonical SMILES for 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol is CN[C@H](CN1CC(O)C1)C1CCCCC1.
What is the InChIKey of 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol?
The InChIKey is AVQNTAZUUVGNKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-12(9-14-7-11(15)8-14)10-5-3-2-4-6-10/h10-13,15H,2-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol?
1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol is sourced from PubChem (CID 67773410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).