[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine

C15H27N3S — CID 80729487

IUPAC[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C15H27N3S/c1-12(2)10-17-4-6-18(7-5-17)11-14-8-15(9-16)19-13(14)3/h8,12H,4-7,9-11,16H2,1-3H3
InChIKeyFIQLLHJARYIBLW-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.29
Rot. Bonds5

About [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine

[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine (PubChem CID 80729487) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
PubChem CID80729487
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C15H27N3S/c1-12(2)10-17-4-6-18(7-5-17)11-14-8-15(9-16)19-13(14)3/h8,12H,4-7,9-11,16H2,1-3H3
InChIKeyFIQLLHJARYIBLW-UHFFFAOYSA-N
XLogP2.29
TPSA32.50 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727522
[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80719354
[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729947
[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728525
[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 114238335
N-[[4-(azocan-1-ylmethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80719506
[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine
CID 174866108
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548
[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 80729759
N-[[5-methyl-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80727922
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 103503337

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine (CID 80729487) is [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine is Cc1sc(CN)cc1CN1CCN(CC(C)C)CC1.
What is the InChIKey of [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine?
The InChIKey is FIQLLHJARYIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12(2)10-17-4-6-18(7-5-17)11-14-8-15(9-16)19-13(14)3/h8,12H,4-7,9-11,16H2,1-3H3.
What are the key properties of [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine?
[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine has a molecular weight of 281.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80729487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).