2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol

C15H25N3O — CID 114799919

IUPAC2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1ncccc1CN1CCC(CCO)C1
InChIInChI=1S/C15H25N3O/c1-2-7-16-15-14(4-3-8-17-15)12-18-9-5-13(11-18)6-10-19/h3-4,8,13,19H,2,5-7,9-12H2,1H3,(H,16,17)
InChIKeyFITAHKHNNIQAPE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.11
Rot. Bonds7

About 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol

2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 114799919) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID114799919
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1ncccc1CN1CCC(CCO)C1
InChIInChI=1S/C15H25N3O/c1-2-7-16-15-14(4-3-8-17-15)12-18-9-5-13(11-18)6-10-19/h3-4,8,13,19H,2,5-7,9-12H2,1H3,(H,16,17)
InChIKeyFITAHKHNNIQAPE-UHFFFAOYSA-N
XLogP2.11
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
CID 79164091
2-[1-[(2-hydrazinyl-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107228801
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648296
4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
CID 107408579
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 62471001

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol (CID 114799919) is 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol is CCCNc1ncccc1CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is FITAHKHNNIQAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-7-16-15-14(4-3-8-17-15)12-18-9-5-13(11-18)6-10-19/h3-4,8,13,19H,2,5-7,9-12H2,1H3,(H,16,17).
What are the key properties of 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol?
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).