1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine

C15H27N3S — CID 63603641

IUPAC1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCCC1CN(C(c2ccc(C)s2)C(C)N)CCN1C
InChIInChI=1S/C15H27N3S/c1-5-13-10-18(9-8-17(13)4)15(12(3)16)14-7-6-11(2)19-14/h6-7,12-13,15H,5,8-10,16H2,1-4H3
InChIKeyOTXYOQWRARHPHQ-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.47
Rot. Bonds4

About 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine

1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 63603641) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID63603641
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCCC1CN(C(c2ccc(C)s2)C(C)N)CCN1C
InChIInChI=1S/C15H27N3S/c1-5-13-10-18(9-8-17(13)4)15(12(3)16)14-7-6-11(2)19-14/h6-7,12-13,15H,5,8-10,16H2,1-4H3
InChIKeyOTXYOQWRARHPHQ-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine (CID 63603641) is 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine is CCC1CN(C(c2ccc(C)s2)C(C)N)CCN1C.
What is the InChIKey of 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is OTXYOQWRARHPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-13-10-18(9-8-17(13)4)15(12(3)16)14-7-6-11(2)19-14/h6-7,12-13,15H,5,8-10,16H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine?
1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 63603641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).