1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine

C13H19NOS — CID 102649485

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine
SMILESNC(CCCc1cccs1)C1=CCCCO1
InChIInChI=1S/C13H19NOS/c14-12(13-8-1-2-9-15-13)7-3-5-11-6-4-10-16-11/h4,6,8,10,12H,1-3,5,7,9,14H2
InChIKeyMEMMKKVPXCYFHY-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.09
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 102649485) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine
PubChem CID102649485
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine
SMILESNC(CCCc1cccs1)C1=CCCCO1
InChIInChI=1S/C13H19NOS/c14-12(13-8-1-2-9-15-13)7-3-5-11-6-4-10-16-11/h4,6,8,10,12H,1-3,5,7,9,14H2
InChIKeyMEMMKKVPXCYFHY-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1E)-cycloocten-1-yl]-4-thiophen-2-ylbutyl]hydrazine
CID 106650086
1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105147200
6-thiophen-2-ylhex-1-en-3-amine
CID 105161209
1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105144372
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448
1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105187931
2-butylthiophene;methanamine
CID 143080300
7-thiophen-2-ylheptan-3-amine
CID 64505571
2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647143
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
CID 114193701
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
CID 105178514

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine (CID 102649485) is 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine is NC(CCCc1cccs1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is MEMMKKVPXCYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c14-12(13-8-1-2-9-15-13)7-3-5-11-6-4-10-16-11/h4,6,8,10,12H,1-3,5,7,9,14H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 102649485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).