1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine

C12H22N2 — CID 114410666

IUPAC1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCCC1(CN2CC=CCC2)CCNC1
InChIInChI=1S/C12H22N2/c1-2-12(6-7-13-10-12)11-14-8-4-3-5-9-14/h3-4,13H,2,5-11H2,1H3
InChIKeyHQRMPUOXQVXFNZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.64
Rot. Bonds3

About 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine

1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 114410666) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID114410666
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCCC1(CN2CC=CCC2)CCNC1
InChIInChI=1S/C12H22N2/c1-2-12(6-7-13-10-12)11-14-8-4-3-5-9-14/h3-4,13H,2,5-11H2,1H3
InChIKeyHQRMPUOXQVXFNZ-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine (CID 114410666) is 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine is CCC1(CN2CC=CCC2)CCNC1.
What is the InChIKey of 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is HQRMPUOXQVXFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-12(6-7-13-10-12)11-14-8-4-3-5-9-14/h3-4,13H,2,5-11H2,1H3.
What are the key properties of 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine?
1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 194.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).