2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol

C9H20N2O — CID 63273686

IUPAC2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
SMILESCN(CCO)CC1CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-10-4-3-9(7-10)8-11(2)5-6-12/h9,12H,3-8H2,1-2H3
InChIKeyGRFAQDZEEIMPIG-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.14
Rot. Bonds4

About 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol (PubChem CID 63273686) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
PubChem CID63273686
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
SMILESCN(CCO)CC1CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-10-4-3-9(7-10)8-11(2)5-6-12/h9,12H,3-8H2,1-2H3
InChIKeyGRFAQDZEEIMPIG-UHFFFAOYSA-N
XLogP-0.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol (CID 63273686) is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol is CN(CCO)CC1CCN(C)C1.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The InChIKey is GRFAQDZEEIMPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-4-3-9(7-10)8-11(2)5-6-12/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol?
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol has a molecular weight of 172.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 63273686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).