3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine

C12H19NOS — CID 112553258

IUPAC3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCc2ccsc2)C1
InChIInChI=1S/C12H19NOS/c1-2-14-12-7-11(8-12)13-5-3-10-4-6-15-9-10/h4,6,9,11-13H,2-3,5,7-8H2,1H3
InChIKeyQGVSRPRTPQDESZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.45
Rot. Bonds6

About 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine

3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine (PubChem CID 112553258) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine
PubChem CID112553258
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCc2ccsc2)C1
InChIInChI=1S/C12H19NOS/c1-2-14-12-7-11(8-12)13-5-3-10-4-6-15-9-10/h4,6,9,11-13H,2-3,5,7-8H2,1H3
InChIKeyQGVSRPRTPQDESZ-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 54953358
4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
2,5-dimethyl-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64761702
3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 115970469
3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 112554477
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-ethyl-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504261
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 112553169
4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
CID 112553007
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine (CID 112553258) is 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine is CCOC1CC(NCCc2ccsc2)C1.
What is the InChIKey of 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine?
The InChIKey is QGVSRPRTPQDESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-14-12-7-11(8-12)13-5-3-10-4-6-15-9-10/h4,6,9,11-13H,2-3,5,7-8H2,1H3.
What are the key properties of 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine?
3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 112553258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).