2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol

C11H22N2O — CID 63267876

IUPAC2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol
SMILESCNCC1CCN(C2CCCC2O)C1
InChIInChI=1S/C11H22N2O/c1-12-7-9-5-6-13(8-9)10-3-2-4-11(10)14/h9-12,14H,2-8H2,1H3
InChIKeyNSCZCGZJAUXZCB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.44
Rot. Bonds3

About 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol

2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol (PubChem CID 63267876) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol
PubChem CID63267876
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol
SMILESCNCC1CCN(C2CCCC2O)C1
InChIInChI=1S/C11H22N2O/c1-12-7-9-5-6-13(8-9)10-3-2-4-11(10)14/h9-12,14H,2-8H2,1H3
InChIKeyNSCZCGZJAUXZCB-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol (CID 63267876) is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol is CNCC1CCN(C2CCCC2O)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol?
The InChIKey is NSCZCGZJAUXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-7-9-5-6-13(8-9)10-3-2-4-11(10)14/h9-12,14H,2-8H2,1H3.
What are the key properties of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol?
2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 63267876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).