4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine

C13H24N2 — CID 90244520

IUPAC4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(C2CCNC2)CC1
InChIInChI=1S/C13H24N2/c1-13(2,3)11-5-8-15(9-6-11)12-4-7-14-10-12/h5,12,14H,4,6-10H2,1-3H3
InChIKeyLCEZEDCKIGYHLA-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.03
Rot. Bonds1

About 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine

4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine (PubChem CID 90244520) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine
PubChem CID90244520
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(C2CCNC2)CC1
InChIInChI=1S/C13H24N2/c1-13(2,3)11-5-8-15(9-6-11)12-4-7-14-10-12/h5,12,14H,4,6-10H2,1-3H3
InChIKeyLCEZEDCKIGYHLA-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.03
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 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine (CID 90244520) is 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine is CC(C)(C)C1=CCN(C2CCNC2)CC1.
What is the InChIKey of 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine?
The InChIKey is LCEZEDCKIGYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(2,3)11-5-8-15(9-6-11)12-4-7-14-10-12/h5,12,14H,4,6-10H2,1-3H3.
What are the key properties of 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine?
4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine has a molecular weight of 208.35 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-pyrrolidin-3-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 90244520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).