N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine

C13H23N3S — CID 83979376

IUPACN,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
SMILESCC1CNCCN1C(CN(C)C)c1cccs1
InChIInChI=1S/C13H23N3S/c1-11-9-14-6-7-16(11)12(10-15(2)3)13-5-4-8-17-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyUIRXBVFSBYXTJF-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.64
Rot. Bonds4

About N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine

N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine (PubChem CID 83979376) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
PubChem CID83979376
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
SMILESCC1CNCCN1C(CN(C)C)c1cccs1
InChIInChI=1S/C13H23N3S/c1-11-9-14-6-7-16(11)12(10-15(2)3)13-5-4-8-17-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyUIRXBVFSBYXTJF-UHFFFAOYSA-N
XLogP1.64
TPSA18.51 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64930120
2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine
CID 83978834
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83978741
3-[2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethyl]phenol
CID 83977987
2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64930534
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62673320
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine (CID 83979376) is N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine is CC1CNCCN1C(CN(C)C)c1cccs1.
What is the InChIKey of N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The InChIKey is UIRXBVFSBYXTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11-9-14-6-7-16(11)12(10-15(2)3)13-5-4-8-17-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine has a molecular weight of 253.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 83979376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).