2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine

C14H25NS — CID 83141831

IUPAC2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
SMILESCc1ccc(C(C)NCC(C)C(C)(C)C)s1
InChIInChI=1S/C14H25NS/c1-10(14(4,5)6)9-15-12(3)13-8-7-11(2)16-13/h7-8,10,12,15H,9H2,1-6H3
InChIKeyWPEJGVQXTMCXCE-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.39
Rot. Bonds4

About 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine

2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine (PubChem CID 83141831) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
PubChem CID83141831
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
SMILESCc1ccc(C(C)NCC(C)C(C)(C)C)s1
InChIInChI=1S/C14H25NS/c1-10(14(4,5)6)9-15-12(3)13-8-7-11(2)16-13/h7-8,10,12,15H,9H2,1-6H3
InChIKeyWPEJGVQXTMCXCE-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine (CID 83141831) is 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine is Cc1ccc(C(C)NCC(C)C(C)(C)C)s1.
What is the InChIKey of 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
The InChIKey is WPEJGVQXTMCXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-10(14(4,5)6)9-15-12(3)13-8-7-11(2)16-13/h7-8,10,12,15H,9H2,1-6H3.
What are the key properties of 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine?
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 83141831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).