5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol

C12H24N2O — CID 83219997

IUPAC5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
SMILESCCC1CCC(C)N1CC1CC(O)CN1
InChIInChI=1S/C12H24N2O/c1-3-11-5-4-9(2)14(11)8-10-6-12(15)7-13-10/h9-13,15H,3-8H2,1-2H3
InChIKeyNHQIDNHKNKCGCP-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.97
Rot. Bonds3

About 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol

5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 83219997) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
PubChem CID83219997
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
SMILESCCC1CCC(C)N1CC1CC(O)CN1
InChIInChI=1S/C12H24N2O/c1-3-11-5-4-9(2)14(11)8-10-6-12(15)7-13-10/h9-13,15H,3-8H2,1-2H3
InChIKeyNHQIDNHKNKCGCP-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol (CID 83219997) is 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol is CCC1CCC(C)N1CC1CC(O)CN1.
What is the InChIKey of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is NHQIDNHKNKCGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-11-5-4-9(2)14(11)8-10-6-12(15)7-13-10/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol?
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 83219997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).