1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

C15H25N3O — CID 82734995

IUPAC1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCc1cccnc1CNCC(O)CN1CCCC1
InChIInChI=1S/C15H25N3O/c1-2-13-6-5-7-17-15(13)11-16-10-14(19)12-18-8-3-4-9-18/h5-7,14,16,19H,2-4,8-12H2,1H3
InChIKeyPTKPVAJLNLMSOS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.19
Rot. Bonds7

About 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 82734995) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID82734995
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCc1cccnc1CNCC(O)CN1CCCC1
InChIInChI=1S/C15H25N3O/c1-2-13-6-5-7-17-15(13)11-16-10-14(19)12-18-8-3-4-9-18/h5-7,14,16,19H,2-4,8-12H2,1H3
InChIKeyPTKPVAJLNLMSOS-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 78986962
1-cyclopentyloxy-3-[(3-ethyl-2-pyridinyl)methylamino]propan-2-ol
CID 82738008
1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
CID 82738475
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
CID 82738388
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-[(2-prop-2-ynoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110910791
1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82736077
N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
CID 114472474
1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110928639
1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111466430

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 82734995) is 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is CCc1cccnc1CNCC(O)CN1CCCC1.
What is the InChIKey of 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is PTKPVAJLNLMSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-13-6-5-7-17-15(13)11-16-10-14(19)12-18-8-3-4-9-18/h5-7,14,16,19H,2-4,8-12H2,1H3.
What are the key properties of 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 82734995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).