N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine

C11H20N2S — CID 175047866

IUPACN'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1sccc1CC
InChIInChI=1S/C11H20N2S/c1-3-6-12-7-8-13-11-10(4-2)5-9-14-11/h5,9,12-13H,3-4,6-8H2,1-2H3
InChIKeyQBKLPIKUJRCFHM-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.72
Rot. Bonds7

About N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine

N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine (PubChem CID 175047866) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine
PubChem CID175047866
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1sccc1CC
InChIInChI=1S/C11H20N2S/c1-3-6-12-7-8-13-11-10(4-2)5-9-14-11/h5,9,12-13H,3-4,6-8H2,1-2H3
InChIKeyQBKLPIKUJRCFHM-UHFFFAOYSA-N
XLogP2.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine (CID 175047866) is N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine is CCCNCCNc1sccc1CC.
What is the InChIKey of N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine?
The InChIKey is QBKLPIKUJRCFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-6-12-7-8-13-11-10(4-2)5-9-14-11/h5,9,12-13H,3-4,6-8H2,1-2H3.
What are the key properties of N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine?
N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 175047866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).