2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine

C16H28N2S — CID 55032386

IUPAC2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C16H28N2S/c1-12-5-6-15(19-12)14(11-17)18-9-7-13(8-10-18)16(2,3)4/h5-6,13-14H,7-11,17H2,1-4H3
InChIKeyVNFRSMRWAYAUPI-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine

2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 55032386) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID55032386
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C16H28N2S/c1-12-5-6-15(19-12)14(11-17)18-9-7-13(8-10-18)16(2,3)4/h5-6,13-14H,7-11,17H2,1-4H3
InChIKeyVNFRSMRWAYAUPI-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
CID 79426847
2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 43146839
2-(4-tert-butylpiperidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 63465065
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 62124587
2-(2-ethylmorpholin-4-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 43562504
2-(5-methylthiophen-2-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 43329238
2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63669113
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
2-(3-tert-butylpyrrolidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
CID 113417089
3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076067

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine (CID 55032386) is 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(CN)N2CCC(C(C)(C)C)CC2)s1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is VNFRSMRWAYAUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12-5-6-15(19-12)14(11-17)18-9-7-13(8-10-18)16(2,3)4/h5-6,13-14H,7-11,17H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 280.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 55032386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).