2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol

C8H18N2O — CID 65234922

IUPAC2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol
SMILESCNC1(CCO)CCN(C)C1
InChIInChI=1S/C8H18N2O/c1-9-8(4-6-11)3-5-10(2)7-8/h9,11H,3-7H2,1-2H3
InChIKeyVZFOKXCAMFCPKA-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.34
Rot. Bonds3

About 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol

2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol (PubChem CID 65234922) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol
PubChem CID65234922
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol
SMILESCNC1(CCO)CCN(C)C1
InChIInChI=1S/C8H18N2O/c1-9-8(4-6-11)3-5-10(2)7-8/h9,11H,3-7H2,1-2H3
InChIKeyVZFOKXCAMFCPKA-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol (CID 65234922) is 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol is CNC1(CCO)CCN(C)C1.
What is the InChIKey of 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol?
The InChIKey is VZFOKXCAMFCPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9-8(4-6-11)3-5-10(2)7-8/h9,11H,3-7H2,1-2H3.
What are the key properties of 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol?
2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol has a molecular weight of 158.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(methylamino)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 65234922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).