2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol

C13H21N3O — CID 114797039

IUPAC2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
SMILESNCC(c1cccnc1)N1CCC(CCO)C1
InChIInChI=1S/C13H21N3O/c14-8-13(12-2-1-5-15-9-12)16-6-3-11(10-16)4-7-17/h1-2,5,9,11,13,17H,3-4,6-8,10,14H2
InChIKeyJMRPGCNIOQNUKH-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.79
Rot. Bonds5

About 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol

2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol (PubChem CID 114797039) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
PubChem CID114797039
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
SMILESNCC(c1cccnc1)N1CCC(CCO)C1
InChIInChI=1S/C13H21N3O/c14-8-13(12-2-1-5-15-9-12)16-6-3-11(10-16)4-7-17/h1-2,5,9,11,13,17H,3-4,6-8,10,14H2
InChIKeyJMRPGCNIOQNUKH-UHFFFAOYSA-N
XLogP0.79
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
CID 112624351
2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797177
2-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 63172030
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 114797720
2-(2,6-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 82041284
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine
CID 23381417
2-(2-methylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 60973443
2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 115647965
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine
CID 102725488
[1-[2-amino-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 112624466

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol (CID 114797039) is 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol is NCC(c1cccnc1)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JMRPGCNIOQNUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-8-13(12-2-1-5-15-9-12)16-6-3-11(10-16)4-7-17/h1-2,5,9,11,13,17H,3-4,6-8,10,14H2.
What are the key properties of 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).