3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine

C23H37N3 — CID 175837017

IUPAC3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine
SMILESCCCCCCCCN1C=CC=CC1.CN1CCCC1c1cccnc1
InChIInChI=1S/C13H23N.C10H14N2/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h7,9-10,12H,2-6,8,11,13H2,1H3;2,4,6,8,10H,3,5,7H2,1H3
InChIKeyVBXDEBXVRPLHJV-UHFFFAOYSA-N
MW355.57 g/mol
LogP5.58
Rot. Bonds8

About 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine

3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine (PubChem CID 175837017) has the molecular formula C23H37N3 and a molecular weight of 355.57 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine
PubChem CID175837017
Molecular FormulaC23H37N3
Molecular Weight355.57 g/mol
Exact Mass355.30
IUPAC Name3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine
SMILESCCCCCCCCN1C=CC=CC1.CN1CCCC1c1cccnc1
InChIInChI=1S/C13H23N.C10H14N2/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h7,9-10,12H,2-6,8,11,13H2,1H3;2,4,6,8,10H,3,5,7H2,1H3
InChIKeyVBXDEBXVRPLHJV-UHFFFAOYSA-N
XLogP5.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51042709
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
CID 67864533
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174745623
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine (CID 175837017) is 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine is CCCCCCCCN1C=CC=CC1.CN1CCCC1c1cccnc1.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine?
The InChIKey is VBXDEBXVRPLHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.C10H14N2/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h7,9-10,12H,2-6,8,11,13H2,1H3;2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine?
3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine has a molecular weight of 355.57 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine is sourced from PubChem (CID 175837017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).