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

C10H17NOS — CID 103024920

IUPAC3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1cccs1
InChIInChI=1S/C10H17NOS/c1-10(2,12-3)7-8(11)9-5-4-6-13-9/h4-6,8H,7,11H2,1-3H3
InChIKeyOODRXDURYZQZGR-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.56
Rot. Bonds4

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

3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine (PubChem CID 103024920) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine
PubChem CID103024920
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1cccs1
InChIInChI=1S/C10H17NOS/c1-10(2,12-3)7-8(11)9-5-4-6-13-9/h4-6,8H,7,11H2,1-3H3
InChIKeyOODRXDURYZQZGR-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-thiophen-2-yl-propylamine
CID 3159240
2-(1-Amino-2-ethylbutyl)thiophene hydrochloride
CID 45791873
3-Amino-2,2-dimethyl-3-(thiophen-2-yl)propan-1-ol
CID 119031384
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-N-[1-(thiophen-2-yl)ethyl]heptan-1-amine
CID 4904540
3-methoxy-N,3-dimethyl-1-thiophen-2-ylbutan-1-amine
CID 103024921
N-ethyl-3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine
CID 103024922
3-methoxy-3-methyl-N-propyl-1-thiophen-2-ylbutan-1-amine
CID 103024923
1-(5-Chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine
CID 103025084
(3-Methoxy-3-methyl-1-thiophen-2-ylbutyl)hydrazine
CID 103025196
(5-Methoxy-5-methyl-1-thiophen-2-ylhexan-3-yl)hydrazine
CID 103025326
[1-(3-Bromothiophen-2-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025437
[3-Methoxy-3-methyl-1-(2-methylthiophen-3-yl)butyl]hydrazine
CID 103025533

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine (CID 103024920) is 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine is COC(C)(C)CC(N)c1cccs1.
What is the InChIKey of 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine?
The InChIKey is OODRXDURYZQZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(2,12-3)7-8(11)9-5-4-6-13-9/h4-6,8H,7,11H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine?
3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 103024920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).