1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine

C12H19NOS — CID 62116806

IUPAC1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(OC1CCC1)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-2-11(13)12(9-6-7-15-8-9)14-10-4-3-5-10/h6-8,10-12H,2-5,13H2,1H3
InChIKeyBJZYZDMELSSZQB-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.10
Rot. Bonds5

About 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine

1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine (PubChem CID 62116806) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine
PubChem CID62116806
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(OC1CCC1)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-2-11(13)12(9-6-7-15-8-9)14-10-4-3-5-10/h6-8,10-12H,2-5,13H2,1H3
InChIKeyBJZYZDMELSSZQB-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
CID 62115253
1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine
CID 63461230
1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine
CID 55014714
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine
CID 107656259
1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine
CID 64718419
(S)-cyclobutyl(thiophen-3-yl)methanamine
CID 96933189
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine
CID 63973621
8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55243566
(2-methylcyclopentyl)-thiophen-3-ylmethanamine
CID 107189168
[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777782

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine (CID 62116806) is 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine is CCC(N)C(OC1CCC1)c1ccsc1.
What is the InChIKey of 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine?
The InChIKey is BJZYZDMELSSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-11(13)12(9-6-7-15-8-9)14-10-4-3-5-10/h6-8,10-12H,2-5,13H2,1H3.
What are the key properties of 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine?
1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 62116806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).