1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine

C8H15N3S — CID 55273583

IUPAC1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine
SMILESCN(C)c1ccc(C(N)CN)s1
InChIInChI=1S/C8H15N3S/c1-11(2)8-4-3-7(12-8)6(10)5-9/h3-4,6H,5,9-10H2,1-2H3
InChIKeyIETVEZYDUAQRQQ-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.77
Rot. Bonds3

About 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine

1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine (PubChem CID 55273583) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine
PubChem CID55273583
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine
SMILESCN(C)c1ccc(C(N)CN)s1
InChIInChI=1S/C8H15N3S/c1-11(2)8-4-3-7(12-8)6(10)5-9/h3-4,6H,5,9-10H2,1-2H3
InChIKeyIETVEZYDUAQRQQ-UHFFFAOYSA-N
XLogP0.77
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine (CID 55273583) is 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine is CN(C)c1ccc(C(N)CN)s1.
What is the InChIKey of 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine?
The InChIKey is IETVEZYDUAQRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-11(2)8-4-3-7(12-8)6(10)5-9/h3-4,6H,5,9-10H2,1-2H3.
What are the key properties of 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine?
1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine has a molecular weight of 185.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)thiophen-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 55273583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).