1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol

C9H20N2O — CID 117237155

IUPAC1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol
SMILESCCN1CCC(C(O)CNC)C1
InChIInChI=1S/C9H20N2O/c1-3-11-5-4-8(7-11)9(12)6-10-2/h8-10,12H,3-7H2,1-2H3
InChIKeyKUGZNXVSHORYQA-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.09
Rot. Bonds4

About 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol

1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol (PubChem CID 117237155) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol
PubChem CID117237155
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol
SMILESCCN1CCC(C(O)CNC)C1
InChIInChI=1S/C9H20N2O/c1-3-11-5-4-8(7-11)9(12)6-10-2/h8-10,12H,3-7H2,1-2H3
InChIKeyKUGZNXVSHORYQA-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237190
1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol
CID 117237179
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
(1R)-1-(1-ethylpyrrolidin-3-yl)-N,N-dimethylethanamine
CID 163831391
2-(dimethylamino)-1-(1-ethylpiperidin-4-yl)ethanol
CID 117238589
1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
CID 112629123
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 114135540
2-(1-ethylpyrrolidin-3-yl)-3-piperidin-1-ylpropan-1-ol
CID 117237653
2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 62436874
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol (CID 117237155) is 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol is CCN1CCC(C(O)CNC)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol?
The InChIKey is KUGZNXVSHORYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-11-5-4-8(7-11)9(12)6-10-2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol?
1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol has a molecular weight of 172.27 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 117237155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).