3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine

C12H21NOS — CID 116758590

IUPAC3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccsc1
InChIInChI=1S/C12H21NOS/c1-4-12(3,14-5-2)11(13)8-10-6-7-15-9-10/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyYMZYOEZODLPXNB-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.82
Rot. Bonds6

About 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine

3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine (PubChem CID 116758590) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
PubChem CID116758590
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccsc1
InChIInChI=1S/C12H21NOS/c1-4-12(3,14-5-2)11(13)8-10-6-7-15-9-10/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyYMZYOEZODLPXNB-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine
CID 116758877
1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine
CID 116758609
1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
CID 105137519
(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
CID 94413392
1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758429
4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
CID 116758668
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
3-(2-ethylbutyl)thiophene
CID 89133993
3-ethoxy-3-methylheptan-4-amine
CID 116758519
3-ethoxy-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116758671
3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine
CID 116758615

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine (CID 116758590) is 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine is CCOC(C)(CC)C(N)Cc1ccsc1.
What is the InChIKey of 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine?
The InChIKey is YMZYOEZODLPXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-12(3,14-5-2)11(13)8-10-6-7-15-9-10/h6-7,9,11H,4-5,8,13H2,1-3H3.
What are the key properties of 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine?
3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine is sourced from PubChem (CID 116758590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).