3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine

C11H19NOS — CID 103024921

IUPAC3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine
SMILESCNC(CC(C)(C)OC)c1cccs1
InChIInChI=1S/C11H19NOS/c1-11(2,13-4)8-9(12-3)10-6-5-7-14-10/h5-7,9,12H,8H2,1-4H3
InChIKeyCCZDDLXMWALPTJ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.82
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine

3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine (PubChem CID 103024921) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine
PubChem CID103024921
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine
SMILESCNC(CC(C)(C)OC)c1cccs1
InChIInChI=1S/C11H19NOS/c1-11(2,13-4)8-9(12-3)10-6-5-7-14-10/h5-7,9,12H,8H2,1-4H3
InChIKeyCCZDDLXMWALPTJ-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine (CID 103024921) is 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine is CNC(CC(C)(C)OC)c1cccs1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine?
The InChIKey is CCZDDLXMWALPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-11(2,13-4)8-9(12-3)10-6-5-7-14-10/h5-7,9,12H,8H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine?
3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 103024921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).