3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine

C13H23NOS — CID 103024923

IUPAC3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1cccs1
InChIInChI=1S/C13H23NOS/c1-5-8-14-11(10-13(2,3)15-4)12-7-6-9-16-12/h6-7,9,11,14H,5,8,10H2,1-4H3
InChIKeyXFZCKMIINLQILD-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.60
Rot. Bonds7

About 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine

3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine (PubChem CID 103024923) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine
PubChem CID103024923
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1cccs1
InChIInChI=1S/C13H23NOS/c1-5-8-14-11(10-13(2,3)15-4)12-7-6-9-16-12/h6-7,9,11,14H,5,8,10H2,1-4H3
InChIKeyXFZCKMIINLQILD-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine (CID 103024923) is 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine is CCCNC(CC(C)(C)OC)c1cccs1.
What is the InChIKey of 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine?
The InChIKey is XFZCKMIINLQILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-8-14-11(10-13(2,3)15-4)12-7-6-9-16-12/h6-7,9,11,14H,5,8,10H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine?
3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 103024923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).