3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine

C11H19NOS — CID 103028545

IUPAC3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)c1sccc1C
InChIInChI=1S/C11H19NOS/c1-8-5-6-14-10(8)9(12)7-11(2,3)13-4/h5-6,9H,7,12H2,1-4H3
InChIKeyRIMJCUZAQPDIBG-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.87
Rot. Bonds4

About 3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine

3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine (PubChem CID 103028545) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine
PubChem CID103028545
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine
SMILESCOC(C)(C)CC(N)c1sccc1C
InChIInChI=1S/C11H19NOS/c1-8-5-6-14-10(8)9(12)7-11(2,3)13-4/h5-6,9H,7,12H2,1-4H3
InChIKeyRIMJCUZAQPDIBG-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.87
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-1-(3-methylthiophen-2-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine (CID 103028545) is 3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine is COC(C)(C)CC(N)c1sccc1C.
What is the InChIKey of 3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine?
The InChIKey is RIMJCUZAQPDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8-5-6-14-10(8)9(12)7-11(2,3)13-4/h5-6,9H,7,12H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine?
3-methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.87, 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-(3-methylthiophen-2-yl)butan-1-amine is sourced from PubChem (CID 103028545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).