1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

C15H27N3S — CID 54861135

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NCCN2CCN(C)CC2)c(C)s1
InChIInChI=1S/C15H27N3S/c1-12-11-15(14(3)19-12)13(2)16-5-6-18-9-7-17(4)8-10-18/h11,13,16H,5-10H2,1-4H3
InChIKeyCNTMPPOIEBZPLQ-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.26
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (PubChem CID 54861135) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
PubChem CID54861135
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NCCN2CCN(C)CC2)c(C)s1
InChIInChI=1S/C15H27N3S/c1-12-11-15(14(3)19-12)13(2)16-5-6-18-9-7-17(4)8-10-18/h11,13,16H,5-10H2,1-4H3
InChIKeyCNTMPPOIEBZPLQ-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097419
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716050
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43201220
(1S)-1-(2,5-dimethylthiophen-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]ethanamine
CID 97229603
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54860988
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114082694
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 60924375
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]butanoic acid
CID 60782598

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (CID 54861135) is 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is Cc1cc(C(C)NCCN2CCN(C)CC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The InChIKey is CNTMPPOIEBZPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12-11-15(14(3)19-12)13(2)16-5-6-18-9-7-17(4)8-10-18/h11,13,16H,5-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine has a molecular weight of 281.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 54861135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).