1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol

C11H22N2O — CID 22807224

IUPAC1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol
SMILESCN[C@@H]1CCCC[C@H]1N1CCC(O)C1
InChIInChI=1S/C11H22N2O/c1-12-10-4-2-3-5-11(10)13-7-6-9(14)8-13/h9-12,14H,2-8H2,1H3/t9?,10-,11-/m1/s1
InChIKeyXLLPXIPKPNQZNN-FHZGLPGMSA-N
MW198.31 g/mol
LogP0.58
Rot. Bonds2

About 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol

1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol (PubChem CID 22807224) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol
PubChem CID22807224
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol
SMILESCN[C@@H]1CCCC[C@H]1N1CCC(O)C1
InChIInChI=1S/C11H22N2O/c1-12-10-4-2-3-5-11(10)13-7-6-9(14)8-13/h9-12,14H,2-8H2,1H3/t9?,10-,11-/m1/s1
InChIKeyXLLPXIPKPNQZNN-FHZGLPGMSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol (CID 22807224) is 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol is CN[C@@H]1CCCC[C@H]1N1CCC(O)C1.
What is the InChIKey of 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol?
The InChIKey is XLLPXIPKPNQZNN-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-10-4-2-3-5-11(10)13-7-6-9(14)8-13/h9-12,14H,2-8H2,1H3/t9?,10-,11-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol?
1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(methylamino)cyclohexyl]pyrrolidin-3-ol is sourced from PubChem (CID 22807224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).