2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol

C8H18N2O — CID 153330305

IUPAC2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol
SMILESCCN[C@H]1CCN(CCO)C1
InChIInChI=1S/C8H18N2O/c1-2-9-8-3-4-10(7-8)5-6-11/h8-9,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyIOCGQUIHBFZSSB-QMMMGPOBSA-N
MW158.25 g/mol
LogP-0.34
Rot. Bonds4

About 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol

2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol (PubChem CID 153330305) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol
PubChem CID153330305
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol
SMILESCCN[C@H]1CCN(CCO)C1
InChIInChI=1S/C8H18N2O/c1-2-9-8-3-4-10(7-8)5-6-11/h8-9,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyIOCGQUIHBFZSSB-QMMMGPOBSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 106191040
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 60855604
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
1-[5-(ethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83990738
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
CID 117004407
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
1-cyclopropyl-2-[5-(ethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83990741
1-butyl-N-ethylpiperidin-4-amine
CID 43314967

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol (CID 153330305) is 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol is CCN[C@H]1CCN(CCO)C1.
What is the InChIKey of 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol?
The InChIKey is IOCGQUIHBFZSSB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-9-8-3-4-10(7-8)5-6-11/h8-9,11H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol?
2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol has a molecular weight of 158.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 153330305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).