N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine

C16H30N4S — CID 62888898

IUPACN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
SMILESCN(C)CCN1CCN(CCNCCc2cccs2)CC1
InChIInChI=1S/C16H30N4S/c1-18(2)9-10-20-13-11-19(12-14-20)8-7-17-6-5-16-4-3-15-21-16/h3-4,15,17H,5-14H2,1-2H3
InChIKeyFHXSDDMUHJFCSQ-UHFFFAOYSA-N
MW310.51 g/mol
LogP1.06
Rot. Bonds9

About N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine

N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62888898) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
PubChem CID62888898
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
SMILESCN(C)CCN1CCN(CCNCCc2cccs2)CC1
InChIInChI=1S/C16H30N4S/c1-18(2)9-10-20-13-11-19(12-14-20)8-7-17-6-5-16-4-3-15-21-16/h3-4,15,17H,5-14H2,1-2H3
InChIKeyFHXSDDMUHJFCSQ-UHFFFAOYSA-N
XLogP1.06
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine (CID 62888898) is N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine is CN(C)CCN1CCN(CCNCCc2cccs2)CC1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is FHXSDDMUHJFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-18(2)9-10-20-13-11-19(12-14-20)8-7-17-6-5-16-4-3-15-21-16/h3-4,15,17H,5-14H2,1-2H3.
What are the key properties of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine?
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 310.51 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62888898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).