2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

C15H27N3S — CID 55089239

IUPAC2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)N1CCN(C(C)CNCc2cccs2)CC1
InChIInChI=1S/C15H27N3S/c1-13(2)17-6-8-18(9-7-17)14(3)11-16-12-15-5-4-10-19-15/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3
InChIKeyFSENZIANBUVOFX-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.25
Rot. Bonds6

About 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 55089239) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID55089239
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)N1CCN(C(C)CNCc2cccs2)CC1
InChIInChI=1S/C15H27N3S/c1-13(2)17-6-8-18(9-7-17)14(3)11-16-12-15-5-4-10-19-15/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3
InChIKeyFSENZIANBUVOFX-UHFFFAOYSA-N
XLogP2.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63167661
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63776987
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62566958
2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83062252
2-methyl-3-piperazin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115255363
2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 55089239) is 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(C)N1CCN(C(C)CNCc2cccs2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is FSENZIANBUVOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-13(2)17-6-8-18(9-7-17)14(3)11-16-12-15-5-4-10-19-15/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55089239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).