3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine

C22H32N2 — CID 142312090

IUPAC3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine
SMILESCC(C)Cc1ccc(CN2CCCC2)cc1.CCc1cccnc1
InChIInChI=1S/C15H23N.C7H9N/c1-13(2)11-14-5-7-15(8-6-14)12-16-9-3-4-10-16;1-2-7-4-3-5-8-6-7/h5-8,13H,3-4,9-12H2,1-2H3;3-6H,2H2,1H3
InChIKeyOGPNCZJHDIWSGO-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.12
Rot. Bonds5

About 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine

3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine (PubChem CID 142312090) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine
PubChem CID142312090
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine
SMILESCC(C)Cc1ccc(CN2CCCC2)cc1.CCc1cccnc1
InChIInChI=1S/C15H23N.C7H9N/c1-13(2)11-14-5-7-15(8-6-14)12-16-9-3-4-10-16;1-2-7-4-3-5-8-6-7/h5-8,13H,3-4,9-12H2,1-2H3;3-6H,2H2,1H3
InChIKeyOGPNCZJHDIWSGO-UHFFFAOYSA-N
XLogP5.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-ethylpyridine
CID 10823
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
CID 56918189
1-[(2R)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 95718209
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine
CID 89167952
N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77096467
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
1-benzylpyrrolidine;propane
CID 143692089
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659

Frequently Asked Questions

What is the IUPAC name of 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine (CID 142312090) is 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine is CC(C)Cc1ccc(CN2CCCC2)cc1.CCc1cccnc1.
What is the InChIKey of 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine?
The InChIKey is OGPNCZJHDIWSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C7H9N/c1-13(2)11-14-5-7-15(8-6-14)12-16-9-3-4-10-16;1-2-7-4-3-5-8-6-7/h5-8,13H,3-4,9-12H2,1-2H3;3-6H,2H2,1H3.
What are the key properties of 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine?
3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine has a molecular weight of 324.51 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 142312090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).