2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol

C10H22N2O2 — CID 61070883

IUPAC2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol
SMILESCN1CCC(CNCCOCCO)C1
InChIInChI=1S/C10H22N2O2/c1-12-4-2-10(9-12)8-11-3-6-14-7-5-13/h10-11,13H,2-9H2,1H3
InChIKeyLRVWLBMDRVJNAW-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.46
Rot. Bonds7

About 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol

2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol (PubChem CID 61070883) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol
PubChem CID61070883
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol
SMILESCN1CCC(CNCCOCCO)C1
InChIInChI=1S/C10H22N2O2/c1-12-4-2-10(9-12)8-11-3-6-14-7-5-13/h10-11,13H,2-9H2,1H3
InChIKeyLRVWLBMDRVJNAW-UHFFFAOYSA-N
XLogP-0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 103178617
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate
CID 103239648
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
CID 63849785
2-[2-(piperidin-4-ylmethylamino)ethoxy]ethanol
CID 79708237
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[(1-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 60854888
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol (CID 61070883) is 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol is CN1CCC(CNCCOCCO)C1.
What is the InChIKey of 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol?
The InChIKey is LRVWLBMDRVJNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-12-4-2-10(9-12)8-11-3-6-14-7-5-13/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol?
2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol has a molecular weight of 202.30 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 61070883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).