1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine

C14H25NOS — CID 66233569

IUPAC1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(OCCC(C)(C)C)C(C)N
InChIInChI=1S/C14H25NOS/c1-10-6-9-17-13(10)12(11(2)15)16-8-7-14(3,4)5/h6,9,11-12H,7-8,15H2,1-5H3
InChIKeyBSSYGGWAYAFUJH-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.90
Rot. Bonds5

About 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine

1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine (PubChem CID 66233569) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
PubChem CID66233569
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccsc1C(OCCC(C)(C)C)C(C)N
InChIInChI=1S/C14H25NOS/c1-10-6-9-17-13(10)12(11(2)15)16-8-7-14(3,4)5/h6,9,11-12H,7-8,15H2,1-5H3
InChIKeyBSSYGGWAYAFUJH-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine (CID 66233569) is 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine is Cc1ccsc1C(OCCC(C)(C)C)C(C)N.
What is the InChIKey of 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine?
The InChIKey is BSSYGGWAYAFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-10-6-9-17-13(10)12(11(2)15)16-8-7-14(3,4)5/h6,9,11-12H,7-8,15H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine?
1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 66233569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).