2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine

C9H17NS — CID 155439741

IUPAC2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)C1CC=CS1
InChIInChI=1S/C9H17NS/c1-9(2,7-10-3)8-5-4-6-11-8/h4,6,8,10H,5,7H2,1-3H3
InChIKeyQJFKPLWZLODARA-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds3

About 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine

2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine (PubChem CID 155439741) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine
PubChem CID155439741
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)C1CC=CS1
InChIInChI=1S/C9H17NS/c1-9(2,7-10-3)8-5-4-6-11-8/h4,6,8,10H,5,7H2,1-3H3
InChIKeyQJFKPLWZLODARA-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine 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 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine (CID 155439741) is 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)C1CC=CS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is QJFKPLWZLODARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-9(2,7-10-3)8-5-4-6-11-8/h4,6,8,10H,5,7H2,1-3H3.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine?
2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 155439741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).