4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine

C11H15NS — CID 130481371

IUPAC4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine
SMILESCc1ccc(C#CC(N)C(C)C)s1
InChIInChI=1S/C11H15NS/c1-8(2)11(12)7-6-10-5-4-9(3)13-10/h4-5,8,11H,12H2,1-3H3
InChIKeyHFDUXZUGINVRSX-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.39
Rot. Bonds1

About 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine

4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine (PubChem CID 130481371) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine.

Molecular Properties

Compound Name4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine
PubChem CID130481371
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine
SMILESCc1ccc(C#CC(N)C(C)C)s1
InChIInChI=1S/C11H15NS/c1-8(2)11(12)7-6-10-5-4-9(3)13-10/h4-5,8,11H,12H2,1-3H3
InChIKeyHFDUXZUGINVRSX-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine?
The IUPAC name of 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine (CID 130481371) is 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine.
What is the SMILES notation for 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine?
The canonical SMILES for 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine is Cc1ccc(C#CC(N)C(C)C)s1.
What is the InChIKey of 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine?
The InChIKey is HFDUXZUGINVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8(2)11(12)7-6-10-5-4-9(3)13-10/h4-5,8,11H,12H2,1-3H3.
What are the key properties of 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine?
4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine has a molecular weight of 193.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methylthiophen-2-yl)pent-1-yn-3-amine is sourced from PubChem (CID 130481371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).