3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol

C12H24N2O — CID 79619325

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
SMILESCN(C)C1CCN(C2CCCC(O)C2)C1
InChIInChI=1S/C12H24N2O/c1-13(2)11-6-7-14(9-11)10-4-3-5-12(15)8-10/h10-12,15H,3-9H2,1-2H3
InChIKeyVWXJQLUJBVWNRZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.93
Rot. Bonds2

About 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol

3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol (PubChem CID 79619325) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
PubChem CID79619325
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol
SMILESCN(C)C1CCN(C2CCCC(O)C2)C1
InChIInChI=1S/C12H24N2O/c1-13(2)11-6-7-14(9-11)10-4-3-5-12(15)8-10/h10-12,15H,3-9H2,1-2H3
InChIKeyVWXJQLUJBVWNRZ-UHFFFAOYSA-N
XLogP0.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol (CID 79619325) is 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol is CN(C)C1CCN(C2CCCC(O)C2)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol?
The InChIKey is VWXJQLUJBVWNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)11-6-7-14(9-11)10-4-3-5-12(15)8-10/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol?
3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 79619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).