1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine

C16H28N2S — CID 114592174

IUPAC1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CC(C)CC(C)C2C)s1
InChIInChI=1S/C16H28N2S/c1-10-8-11(2)14(5)18(9-10)16(13(4)17)15-7-6-12(3)19-15/h6-7,10-11,13-14,16H,8-9,17H2,1-5H3
InChIKeyGGHFACSFXRZSBV-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.81
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine

1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine (PubChem CID 114592174) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
PubChem CID114592174
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CC(C)CC(C)C2C)s1
InChIInChI=1S/C16H28N2S/c1-10-8-11(2)14(5)18(9-10)16(13(4)17)15-7-6-12(3)19-15/h6-7,10-11,13-14,16H,8-9,17H2,1-5H3
InChIKeyGGHFACSFXRZSBV-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine (CID 114592174) is 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine is Cc1ccc(C(C(C)N)N2CC(C)CC(C)C2C)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine?
The InChIKey is GGHFACSFXRZSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-10-8-11(2)14(5)18(9-10)16(13(4)17)15-7-6-12(3)19-15/h6-7,10-11,13-14,16H,8-9,17H2,1-5H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine?
1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine 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 1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 114592174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).