3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol

C15H25N3O — CID 70733403

IUPAC3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol
SMILESCCc1ccc(CN2CCC(O)(CN(C)C)C2)nc1
InChIInChI=1S/C15H25N3O/c1-4-13-5-6-14(16-9-13)10-18-8-7-15(19,12-18)11-17(2)3/h5-6,9,19H,4,7-8,10-12H2,1-3H3
InChIKeyHBJXTUPMCQVPPL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.14
Rot. Bonds5

About 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol

3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol (PubChem CID 70733403) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol
PubChem CID70733403
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol
SMILESCCc1ccc(CN2CCC(O)(CN(C)C)C2)nc1
InChIInChI=1S/C15H25N3O/c1-4-13-5-6-14(16-9-13)10-18-8-7-15(19,12-18)11-17(2)3/h5-6,9,19H,4,7-8,10-12H2,1-3H3
InChIKeyHBJXTUPMCQVPPL-UHFFFAOYSA-N
XLogP1.14
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nicotine
CID 89594
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
(R)-Nicotine
CID 157672
Nicotyrine
CID 10249
5-(1-Methyl-pyrrolidin-2-yl)-2-phenethyl-pyridine
CID 11644688
benzyl(methyl)[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 11806071
5-Ethyl-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 44456496
3-(1-Ethyl-2-pyrrolidinyl)pyridine
CID 4658388
3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
CID 44455920
2,5-Bis(pyrrolidin-1-ylmethyl)pyridine
CID 127044984
Dzbpbwwcikamer-ongxeeelsa-
CID 13914106
3-[(2S,5S)-5-butyl-1-methylpyrrolidin-2-yl]pyridine
CID 13914112

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol (CID 70733403) is 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol is CCc1ccc(CN2CCC(O)(CN(C)C)C2)nc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol?
The InChIKey is HBJXTUPMCQVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-13-5-6-14(16-9-13)10-18-8-7-15(19,12-18)11-17(2)3/h5-6,9,19H,4,7-8,10-12H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol?
3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70733403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).