2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine

C15H24N2O — CID 114462182

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine
SMILESCC(C)(C)C1=CCN(C(CN)c2ccco2)CC1
InChIInChI=1S/C15H24N2O/c1-15(2,3)12-6-8-17(9-7-12)13(11-16)14-5-4-10-18-14/h4-6,10,13H,7-9,11,16H2,1-3H3
InChIKeyPQGIDIDDKKJUBY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.96
Rot. Bonds3

About 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine (PubChem CID 114462182) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine
PubChem CID114462182
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine
SMILESCC(C)(C)C1=CCN(C(CN)c2ccco2)CC1
InChIInChI=1S/C15H24N2O/c1-15(2,3)12-6-8-17(9-7-12)13(11-16)14-5-4-10-18-14/h4-6,10,13H,7-9,11,16H2,1-3H3
InChIKeyPQGIDIDDKKJUBY-UHFFFAOYSA-N
XLogP2.96
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 114462186
2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 114462097
2-(3-tert-butylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
CID 113416920
2-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 55050220
2-(4,4-diethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 63156988
tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
CID 82020206
1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol
CID 131207499
(2R)-2-(furan-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamine
CID 9161352
4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one
CID 64682378
2-(furan-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530810
1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
CID 102956003
2-(3-ethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43584299

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine (CID 114462182) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine is CC(C)(C)C1=CCN(C(CN)c2ccco2)CC1.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine?
The InChIKey is PQGIDIDDKKJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)12-6-8-17(9-7-12)13(11-16)14-5-4-10-18-14/h4-6,10,13H,7-9,11,16H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine?
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 114462182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).