N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine

C13H21NOS — CID 66351876

IUPACN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine
SMILESCCOC1CC(Nc2ccsc2)C1(C)CC
InChIInChI=1S/C13H21NOS/c1-4-13(3)11(8-12(13)15-5-2)14-10-6-7-16-9-10/h6-7,9,11-12,14H,4-5,8H2,1-3H3
InChIKeyVUFQDXKHKHKFQP-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.75
Rot. Bonds5

About N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine

N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine (PubChem CID 66351876) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine
PubChem CID66351876
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine
SMILESCCOC1CC(Nc2ccsc2)C1(C)CC
InChIInChI=1S/C13H21NOS/c1-4-13(3)11(8-12(13)15-5-2)14-10-6-7-16-9-10/h6-7,9,11-12,14H,4-5,8H2,1-3H3
InChIKeyVUFQDXKHKHKFQP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine?
The IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine (CID 66351876) is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine.
What is the SMILES notation for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine?
The canonical SMILES for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine is CCOC1CC(Nc2ccsc2)C1(C)CC.
What is the InChIKey of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine?
The InChIKey is VUFQDXKHKHKFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-13(3)11(8-12(13)15-5-2)14-10-6-7-16-9-10/h6-7,9,11-12,14H,4-5,8H2,1-3H3.
What are the key properties of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine?
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine has a molecular weight of 239.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)thiophen-3-amine is sourced from PubChem (CID 66351876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).