N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine

C13H20N2S2 — CID 113409063

IUPACN'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine
SMILESCCCNCCN(C)Cc1cc2sccc2s1
InChIInChI=1S/C13H20N2S2/c1-3-5-14-6-7-15(2)10-11-9-13-12(17-11)4-8-16-13/h4,8-9,14H,3,5-7,10H2,1-2H3
InChIKeyRVYINYABODMMNX-UHFFFAOYSA-N
MW268.45 g/mol
LogP3.39
Rot. Bonds7

About N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine

N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine (PubChem CID 113409063) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine
PubChem CID113409063
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC NameN'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine
SMILESCCCNCCN(C)Cc1cc2sccc2s1
InChIInChI=1S/C13H20N2S2/c1-3-5-14-6-7-15(2)10-11-9-13-12(17-11)4-8-16-13/h4,8-9,14H,3,5-7,10H2,1-2H3
InChIKeyRVYINYABODMMNX-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine (CID 113409063) is N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine is CCCNCCN(C)Cc1cc2sccc2s1.
What is the InChIKey of N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is RVYINYABODMMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-3-5-14-6-7-15(2)10-11-9-13-12(17-11)4-8-16-13/h4,8-9,14H,3,5-7,10H2,1-2H3.
What are the key properties of N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 268.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 113409063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).