1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine

C16H29N3S — CID 79659440

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)C1CN(C)CCN1C
InChIInChI=1S/C16H29N3S/c1-5-13-7-8-14(20-13)11-15(17-6-2)16-12-18(3)9-10-19(16)4/h7-8,15-17H,5-6,9-12H2,1-4H3
InChIKeyFTOQUOKVVLXOFH-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.08
Rot. Bonds6

About 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine

1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 79659440) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
PubChem CID79659440
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)C1CN(C)CCN1C
InChIInChI=1S/C16H29N3S/c1-5-13-7-8-14(20-13)11-15(17-6-2)16-12-18(3)9-10-19(16)4/h7-8,15-17H,5-6,9-12H2,1-4H3
InChIKeyFTOQUOKVVLXOFH-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine (CID 79659440) is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine is CCNC(Cc1ccc(CC)s1)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is FTOQUOKVVLXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-13-7-8-14(20-13)11-15(17-6-2)16-12-18(3)9-10-19(16)4/h7-8,15-17H,5-6,9-12H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 295.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79659440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).