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

C14H25N3S — CID 82889893

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCc1cc(CNCCN2CCN(C)CC2)sc1C
InChIInChI=1S/C14H25N3S/c1-12-10-14(18-13(12)2)11-15-4-5-17-8-6-16(3)7-9-17/h10,15H,4-9,11H2,1-3H3
InChIKeyOUDOTEUJRHQDCN-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.70
Rot. Bonds5

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

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 82889893) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID82889893
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCc1cc(CNCCN2CCN(C)CC2)sc1C
InChIInChI=1S/C14H25N3S/c1-12-10-14(18-13(12)2)11-15-4-5-17-8-6-16(3)7-9-17/h10,15H,4-9,11H2,1-3H3
InChIKeyOUDOTEUJRHQDCN-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889883
2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62474770
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728262
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
CID 81105748
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
CID 65243774
N'-[(4,5-dimethylthiophen-2-yl)methyl]-N-prop-2-enylethane-1,2-diamine
CID 79280270
N-[(3,5-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 54860881
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410494
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 65244071
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 65241403
2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60701292
N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 65238850

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine (CID 82889893) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine is Cc1cc(CNCCN2CCN(C)CC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is OUDOTEUJRHQDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12-10-14(18-13(12)2)11-15-4-5-17-8-6-16(3)7-9-17/h10,15H,4-9,11H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 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-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 82889893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).