4-methyl-N-propan-2-ylthiophen-2-amine

C8H13NS — CID 20824098

IUPAC4-methyl-N-propan-2-ylthiophen-2-amine
SMILESCc1csc(NC(C)C)c1
InChIInChI=1S/C8H13NS/c1-6(2)9-8-4-7(3)5-10-8/h4-6,9H,1-3H3
InChIKeyOPABVPFLORRXNQ-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.88
Rot. Bonds2

About 4-methyl-N-propan-2-ylthiophen-2-amine

4-methyl-N-propan-2-ylthiophen-2-amine (PubChem CID 20824098) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylthiophen-2-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylthiophen-2-amine
PubChem CID20824098
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-methyl-N-propan-2-ylthiophen-2-amine
SMILESCc1csc(NC(C)C)c1
InChIInChI=1S/C8H13NS/c1-6(2)9-8-4-7(3)5-10-8/h4-6,9H,1-3H3
InChIKeyOPABVPFLORRXNQ-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylthiophen-2-amine?
The IUPAC name of 4-methyl-N-propan-2-ylthiophen-2-amine (CID 20824098) is 4-methyl-N-propan-2-ylthiophen-2-amine.
What is the SMILES notation for 4-methyl-N-propan-2-ylthiophen-2-amine?
The canonical SMILES for 4-methyl-N-propan-2-ylthiophen-2-amine is Cc1csc(NC(C)C)c1.
What is the InChIKey of 4-methyl-N-propan-2-ylthiophen-2-amine?
The InChIKey is OPABVPFLORRXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)9-8-4-7(3)5-10-8/h4-6,9H,1-3H3.
What are the key properties of 4-methyl-N-propan-2-ylthiophen-2-amine?
4-methyl-N-propan-2-ylthiophen-2-amine has a molecular weight of 155.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylthiophen-2-amine is sourced from PubChem (CID 20824098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).