2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol

C8H18N2O — CID 54000251

IUPAC2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol
SMILESCCN1CCCC1C(O)CN
InChIInChI=1S/C8H18N2O/c1-2-10-5-3-4-7(10)8(11)6-9/h7-8,11H,2-6,9H2,1H3
InChIKeyKLBJEMSHVYAGOS-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds3

About 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol

2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol (PubChem CID 54000251) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol
PubChem CID54000251
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol
SMILESCCN1CCCC1C(O)CN
InChIInChI=1S/C8H18N2O/c1-2-10-5-3-4-7(10)8(11)6-9/h7-8,11H,2-6,9H2,1H3
InChIKeyKLBJEMSHVYAGOS-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol?
The IUPAC name of 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol (CID 54000251) is 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol is CCN1CCCC1C(O)CN.
What is the InChIKey of 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol?
The InChIKey is KLBJEMSHVYAGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-10-5-3-4-7(10)8(11)6-9/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol?
2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-ethylpyrrolidin-2-yl)ethanol is sourced from PubChem (CID 54000251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).