1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine

C12H21NOS — CID 115846200

IUPAC1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1sccc1OC
InChIInChI=1S/C12H21NOS/c1-5-9(2)8-10(13-3)12-11(14-4)6-7-15-12/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyUQQCZLMVFQISJR-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.45
Rot. Bonds6

About 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine

1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine (PubChem CID 115846200) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
PubChem CID115846200
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1sccc1OC
InChIInChI=1S/C12H21NOS/c1-5-9(2)8-10(13-3)12-11(14-4)6-7-15-12/h6-7,9-10,13H,5,8H2,1-4H3
InChIKeyUQQCZLMVFQISJR-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
CID 115865302
N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 114874234
[1-(3-methoxythiophen-2-yl)-5-methylhexyl]hydrazine
CID 105331419
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81122254
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997024
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105002642
1-cyclopropyl-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 104994165
2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 105013840
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine (CID 115846200) is 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine?
The InChIKey is UQQCZLMVFQISJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-9(2)8-10(13-3)12-11(14-4)6-7-15-12/h6-7,9-10,13H,5,8H2,1-4H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine?
1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 115846200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).