1-hexoxy-1-thiophen-2-ylbutan-2-amine

C14H25NOS — CID 55021024

IUPAC1-hexoxy-1-thiophen-2-ylbutan-2-amine
SMILESCCCCCCOC(c1cccs1)C(N)CC
InChIInChI=1S/C14H25NOS/c1-3-5-6-7-10-16-14(12(15)4-2)13-9-8-11-17-13/h8-9,11-12,14H,3-7,10,15H2,1-2H3
InChIKeyJCCPSNGQLQHJRB-UHFFFAOYSA-N
MW255.43 g/mol
LogP4.12
Rot. Bonds9

About 1-hexoxy-1-thiophen-2-ylbutan-2-amine

1-hexoxy-1-thiophen-2-ylbutan-2-amine (PubChem CID 55021024) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-hexoxy-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-hexoxy-1-thiophen-2-ylbutan-2-amine
PubChem CID55021024
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name1-hexoxy-1-thiophen-2-ylbutan-2-amine
SMILESCCCCCCOC(c1cccs1)C(N)CC
InChIInChI=1S/C14H25NOS/c1-3-5-6-7-10-16-14(12(15)4-2)13-9-8-11-17-13/h8-9,11-12,14H,3-7,10,15H2,1-2H3
InChIKeyJCCPSNGQLQHJRB-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)-1-octoxybutan-2-amine
CID 63461387
1-(2-cyclobutylethoxy)-1-thiophen-2-ylbutan-2-amine
CID 106200095
1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021086
1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 65124390
1-(3-bromophenyl)-1-octoxybutan-2-amine
CID 63459741
1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine
CID 55020955
1-thiophen-2-yloctan-1-amine
CID 22115201
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021106
2-octoxypentan-3-amine
CID 43127877
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104
2-tetradecan-7-ylthiophene
CID 137450901

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-hexoxy-1-thiophen-2-ylbutan-2-amine (CID 55021024) is 1-hexoxy-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-hexoxy-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-hexoxy-1-thiophen-2-ylbutan-2-amine is CCCCCCOC(c1cccs1)C(N)CC.
What is the InChIKey of 1-hexoxy-1-thiophen-2-ylbutan-2-amine?
The InChIKey is JCCPSNGQLQHJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-3-5-6-7-10-16-14(12(15)4-2)13-9-8-11-17-13/h8-9,11-12,14H,3-7,10,15H2,1-2H3.
What are the key properties of 1-hexoxy-1-thiophen-2-ylbutan-2-amine?
1-hexoxy-1-thiophen-2-ylbutan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55021024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).