1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine

C14H26N2OS — CID 55011258

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)c1cc(C)sc1C
InChIInChI=1S/C14H26N2OS/c1-6-16(10(2)9-17-5)14(8-15)13-7-11(3)18-12(13)4/h7,10,14H,6,8-9,15H2,1-5H3
InChIKeyLQSKBNJGVVMAQV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.72
Rot. Bonds7

About 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine

1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (PubChem CID 55011258) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
PubChem CID55011258
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)c1cc(C)sc1C
InChIInChI=1S/C14H26N2OS/c1-6-16(10(2)9-17-5)14(8-15)13-7-11(3)18-12(13)4/h7,10,14H,6,8-9,15H2,1-5H3
InChIKeyLQSKBNJGVVMAQV-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (CID 55011258) is 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is CCN(C(C)COC)C(CN)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The InChIKey is LQSKBNJGVVMAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-6-16(10(2)9-17-5)14(8-15)13-7-11(3)18-12(13)4/h7,10,14H,6,8-9,15H2,1-5H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine has a molecular weight of 270.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55011258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).