N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine

C8H14N2S — CID 16795633

IUPACN,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCN(C)C(CN)c1ccsc1
InChIInChI=1S/C8H14N2S/c1-10(2)8(5-9)7-3-4-11-6-7/h3-4,6,8H,5,9H2,1-2H3
InChIKeyJLSSIEXZXYNSOE-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.31
Rot. Bonds3

About N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine

N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 16795633) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID16795633
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCN(C)C(CN)c1ccsc1
InChIInChI=1S/C8H14N2S/c1-10(2)8(5-9)7-3-4-11-6-7/h3-4,6,8H,5,9H2,1-2H3
InChIKeyJLSSIEXZXYNSOE-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine (CID 16795633) is N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine is CN(C)C(CN)c1ccsc1.
What is the InChIKey of N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is JLSSIEXZXYNSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-10(2)8(5-9)7-3-4-11-6-7/h3-4,6,8H,5,9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine?
N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 170.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 16795633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).