1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine

C13H21NOS — CID 105147200

IUPAC1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
SMILESNC(CCCc1cccs1)C1CCOCC1
InChIInChI=1S/C13H21NOS/c14-13(11-6-8-15-9-7-11)5-1-3-12-4-2-10-16-12/h2,4,10-11,13H,1,3,5-9,14H2
InChIKeyBOGPVMLMPIUBDP-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.82
Rot. Bonds5

About 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine

1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 105147200) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
PubChem CID105147200
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
SMILESNC(CCCc1cccs1)C1CCOCC1
InChIInChI=1S/C13H21NOS/c14-13(11-6-8-15-9-7-11)5-1-3-12-4-2-10-16-12/h2,4,10-11,13H,1,3,5-9,14H2
InChIKeyBOGPVMLMPIUBDP-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105170846
1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150255
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
[1-(oxan-4-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211809
2-(5-chloro-5-cyclopropylpentyl)thiophene
CID 64507542
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
6-thiophen-2-ylhex-1-en-3-amine
CID 105161209
1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 65414532
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine (CID 105147200) is 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine is NC(CCCc1cccs1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is BOGPVMLMPIUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c14-13(11-6-8-15-9-7-11)5-1-3-12-4-2-10-16-12/h2,4,10-11,13H,1,3,5-9,14H2.
What are the key properties of 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine?
1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105147200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).