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

C15H27N3S — CID 115415525

IUPAC2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(CC1CN(C)CCN1C)c1ccc(C)s1
InChIInChI=1S/C15H27N3S/c1-5-16-14(15-7-6-12(2)19-15)10-13-11-17(3)8-9-18(13)4/h6-7,13-14,16H,5,8-11H2,1-4H3
InChIKeyFWZYRRMBHMXKMK-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.34
Rot. Bonds5

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

2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 115415525) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID115415525
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(CC1CN(C)CCN1C)c1ccc(C)s1
InChIInChI=1S/C15H27N3S/c1-5-16-14(15-7-6-12(2)19-15)10-13-11-17(3)8-9-18(13)4/h6-7,13-14,16H,5,8-11H2,1-4H3
InChIKeyFWZYRRMBHMXKMK-UHFFFAOYSA-N
XLogP2.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415518
N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 106654179
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 115415275
1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 114659630
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 115415511
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
[2-(1,4-dimethylpiperazin-2-yl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105260295
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (CID 115415525) is 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is CCNC(CC1CN(C)CCN1C)c1ccc(C)s1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is FWZYRRMBHMXKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-16-14(15-7-6-12(2)19-15)10-13-11-17(3)8-9-18(13)4/h6-7,13-14,16H,5,8-11H2,1-4H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 281.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115415525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).