2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol

C9H20N2O — CID 10236036

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol
SMILESCCN1CCCC1CNCCO
InChIInChI=1S/C9H20N2O/c1-2-11-6-3-4-9(11)8-10-5-7-12/h9-10,12H,2-8H2,1H3
InChIKeyCPCRYKMSYDQHBJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol

2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol (PubChem CID 10236036) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol
PubChem CID10236036
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol
SMILESCCN1CCCC1CNCCO
InChIInChI=1S/C9H20N2O/c1-2-11-6-3-4-9(11)8-10-5-7-12/h9-10,12H,2-8H2,1H3
InChIKeyCPCRYKMSYDQHBJ-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol (CID 10236036) is 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol is CCN1CCCC1CNCCO.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol?
The InChIKey is CPCRYKMSYDQHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-11-6-3-4-9(11)8-10-5-7-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol?
2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylamino]ethanol is sourced from PubChem (CID 10236036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).