2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine

C13H23N3S — CID 113279389

IUPAC2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
SMILESCC(C)N1CCN(CC(N)c2cccs2)CC1
InChIInChI=1S/C13H23N3S/c1-11(2)16-7-5-15(6-8-16)10-12(14)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10,14H2,1-2H3
InChIKeyUJFPGZQQPNZTSO-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.77
Rot. Bonds4

About 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine

2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine (PubChem CID 113279389) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
PubChem CID113279389
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
SMILESCC(C)N1CCN(CC(N)c2cccs2)CC1
InChIInChI=1S/C13H23N3S/c1-11(2)16-7-5-15(6-8-16)10-12(14)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10,14H2,1-2H3
InChIKeyUJFPGZQQPNZTSO-UHFFFAOYSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine (CID 113279389) is 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine is CC(C)N1CCN(CC(N)c2cccs2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine?
The InChIKey is UJFPGZQQPNZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(2)16-7-5-15(6-8-16)10-12(14)13-4-3-9-17-13/h3-4,9,11-12H,5-8,10,14H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine?
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine has a molecular weight of 253.41 g/mol, XLogP of 1.77, 4 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)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 113279389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).