2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine

C15H24N2S — CID 170868985

IUPAC2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine
SMILESCC1(C)C=C(c2ccc(CCN)s2)CC(C)(C)N1
InChIInChI=1S/C15H24N2S/c1-14(2)9-11(10-15(3,4)17-14)13-6-5-12(18-13)7-8-16/h5-6,9,17H,7-8,10,16H2,1-4H3
InChIKeyINUVGNODOSKKPG-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.18
Rot. Bonds3

About 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine

2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine (PubChem CID 170868985) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine
PubChem CID170868985
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine
SMILESCC1(C)C=C(c2ccc(CCN)s2)CC(C)(C)N1
InChIInChI=1S/C15H24N2S/c1-14(2)9-11(10-15(3,4)17-14)13-6-5-12(18-13)7-8-16/h5-6,9,17H,7-8,10,16H2,1-4H3
InChIKeyINUVGNODOSKKPG-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine (CID 170868985) is 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine is CC1(C)C=C(c2ccc(CCN)s2)CC(C)(C)N1.
What is the InChIKey of 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine?
The InChIKey is INUVGNODOSKKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-14(2)9-11(10-15(3,4)17-14)13-6-5-12(18-13)7-8-16/h5-6,9,17H,7-8,10,16H2,1-4H3.
What are the key properties of 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine?
2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 170868985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).