N,5-dimethyl-3-propan-2-ylthiophen-2-amine

C9H15NS — CID 170011413

IUPACN,5-dimethyl-3-propan-2-ylthiophen-2-amine
SMILESCNc1sc(C)cc1C(C)C
InChIInChI=1S/C9H15NS/c1-6(2)8-5-7(3)11-9(8)10-4/h5-6,10H,1-4H3
InChIKeyYQVNNXJSXUUWFR-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.22
Rot. Bonds2

About N,5-dimethyl-3-propan-2-ylthiophen-2-amine

N,5-dimethyl-3-propan-2-ylthiophen-2-amine (PubChem CID 170011413) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N,5-dimethyl-3-propan-2-ylthiophen-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-3-propan-2-ylthiophen-2-amine
PubChem CID170011413
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN,5-dimethyl-3-propan-2-ylthiophen-2-amine
SMILESCNc1sc(C)cc1C(C)C
InChIInChI=1S/C9H15NS/c1-6(2)8-5-7(3)11-9(8)10-4/h5-6,10H,1-4H3
InChIKeyYQVNNXJSXUUWFR-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-propan-2-ylthiophen-2-amine?
The IUPAC name of N,5-dimethyl-3-propan-2-ylthiophen-2-amine (CID 170011413) is N,5-dimethyl-3-propan-2-ylthiophen-2-amine.
What is the SMILES notation for N,5-dimethyl-3-propan-2-ylthiophen-2-amine?
The canonical SMILES for N,5-dimethyl-3-propan-2-ylthiophen-2-amine is CNc1sc(C)cc1C(C)C.
What is the InChIKey of N,5-dimethyl-3-propan-2-ylthiophen-2-amine?
The InChIKey is YQVNNXJSXUUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-6(2)8-5-7(3)11-9(8)10-4/h5-6,10H,1-4H3.
What are the key properties of N,5-dimethyl-3-propan-2-ylthiophen-2-amine?
N,5-dimethyl-3-propan-2-ylthiophen-2-amine has a molecular weight of 169.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-propan-2-ylthiophen-2-amine is sourced from PubChem (CID 170011413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).