N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine

C15H27N3S — CID 80550247

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCc1cc(CNCC(C)(C)N2CCNCC2)sc1C
InChIInChI=1S/C15H27N3S/c1-12-9-14(19-13(12)2)10-17-11-15(3,4)18-7-5-16-6-8-18/h9,16-17H,5-8,10-11H2,1-4H3
InChIKeyGMPITGJIKOQCQU-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.14
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 80550247) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID80550247
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCc1cc(CNCC(C)(C)N2CCNCC2)sc1C
InChIInChI=1S/C15H27N3S/c1-12-9-14(19-13(12)2)10-17-11-15(3,4)18-7-5-16-6-8-18/h9,16-17H,5-8,10-11H2,1-4H3
InChIKeyGMPITGJIKOQCQU-UHFFFAOYSA-N
XLogP2.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine (CID 80550247) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine is Cc1cc(CNCC(C)(C)N2CCNCC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is GMPITGJIKOQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12-9-14(19-13(12)2)10-17-11-15(3,4)18-7-5-16-6-8-18/h9,16-17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 80550247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).