1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine

C12H19NOS — CID 116722043

IUPAC1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine
SMILESCOC(C(N)CCc1ccsc1)C1CC1
InChIInChI=1S/C12H19NOS/c1-14-12(10-3-4-10)11(13)5-2-9-6-7-15-8-9/h6-8,10-12H,2-5,13H2,1H3
InChIKeyLXYZINCVQKNEAN-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.43
Rot. Bonds6

About 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine

1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine (PubChem CID 116722043) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine
PubChem CID116722043
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine
SMILESCOC(C(N)CCc1ccsc1)C1CC1
InChIInChI=1S/C12H19NOS/c1-14-12(10-3-4-10)11(13)5-2-9-6-7-15-8-9/h6-8,10-12H,2-5,13H2,1H3
InChIKeyLXYZINCVQKNEAN-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-thiophen-3-ylhexan-3-amine
CID 116715242
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
1-(4-propylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 65423572
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
CID 83155210
(1-cyclohexyl-1-methoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105278717
1-(6-bicyclo[3.1.0]hexanyl)-3-thiophen-3-ylpropan-1-amine
CID 115856867
2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol
CID 116712674
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
1-cyclopentyl-5-thiophen-3-ylpentan-3-amine
CID 115857138
1-(2,3-dihydro-1H-inden-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65409928
3-methoxy-1-thiophen-3-ylbutan-2-amine
CID 79616789

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine (CID 116722043) is 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine is COC(C(N)CCc1ccsc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine?
The InChIKey is LXYZINCVQKNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-14-12(10-3-4-10)11(13)5-2-9-6-7-15-8-9/h6-8,10-12H,2-5,13H2,1H3.
What are the key properties of 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine?
1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 116722043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).