2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine

C16H26N2O — CID 114462186

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC=C(C(C)(C)C)CC2)o1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(19-12)14(11-17)18-9-7-13(8-10-18)16(2,3)4/h5-7,14H,8-11,17H2,1-4H3
InChIKeyRJAXLSIYSDOPBL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.27
Rot. Bonds3

About 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 114462186) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID114462186
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC=C(C(C)(C)C)CC2)o1
InChIInChI=1S/C16H26N2O/c1-12-5-6-15(19-12)14(11-17)18-9-7-13(8-10-18)16(2,3)4/h5-7,14H,8-11,17H2,1-4H3
InChIKeyRJAXLSIYSDOPBL-UHFFFAOYSA-N
XLogP3.27
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine (CID 114462186) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CN)N2CC=C(C(C)(C)C)CC2)o1.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is RJAXLSIYSDOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-6-15(19-12)14(11-17)18-9-7-13(8-10-18)16(2,3)4/h5-7,14H,8-11,17H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine?
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.27, 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-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 114462186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).