N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine

C12H19NOS — CID 66351674

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine
SMILESCCOC1CC(Nc2ccsc2)C1(C)C
InChIInChI=1S/C12H19NOS/c1-4-14-11-7-10(12(11,2)3)13-9-5-6-15-8-9/h5-6,8,10-11,13H,4,7H2,1-3H3
InChIKeyNANKRSRXPDLPDJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.36
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine (PubChem CID 66351674) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine
PubChem CID66351674
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine
SMILESCCOC1CC(Nc2ccsc2)C1(C)C
InChIInChI=1S/C12H19NOS/c1-4-14-11-7-10(12(11,2)3)13-9-5-6-15-8-9/h5-6,8,10-11,13H,4,7H2,1-3H3
InChIKeyNANKRSRXPDLPDJ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine (CID 66351674) is N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine is CCOC1CC(Nc2ccsc2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine?
The InChIKey is NANKRSRXPDLPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-14-11-7-10(12(11,2)3)13-9-5-6-15-8-9/h5-6,8,10-11,13H,4,7H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine has a molecular weight of 225.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine is sourced from PubChem (CID 66351674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).