1-thiophen-2-yloctan-1-amine

C12H21NS — CID 22115201

IUPAC1-thiophen-2-yloctan-1-amine
SMILESCCCCCCCC(N)c1cccs1
InChIInChI=1S/C12H21NS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-11H,2-6,8,13H2,1H3
InChIKeyUQQHXDWYXJQGOE-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.11
Rot. Bonds7

About 1-thiophen-2-yloctan-1-amine

1-thiophen-2-yloctan-1-amine (PubChem CID 22115201) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 1-thiophen-2-yloctan-1-amine.

Molecular Properties

Compound Name1-thiophen-2-yloctan-1-amine
PubChem CID22115201
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name1-thiophen-2-yloctan-1-amine
SMILESCCCCCCCC(N)c1cccs1
InChIInChI=1S/C12H21NS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-11H,2-6,8,13H2,1H3
InChIKeyUQQHXDWYXJQGOE-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-2-ylundecan-1-amine
CID 63414388
2-tetradecan-7-ylthiophene
CID 137450901
2-heptadecan-5-ylthiophene
CID 19734009
2-(1-bromononyl)thiophene
CID 65427153
methyl 2-thiophen-2-yloctanoate
CID 67745736
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
1-thiophen-2-yltridecan-2-amine
CID 65428259
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
1-octan-2-yloxy-1-thiophen-2-ylpropan-2-amine
CID 55020955
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yloctan-1-amine?
The IUPAC name of 1-thiophen-2-yloctan-1-amine (CID 22115201) is 1-thiophen-2-yloctan-1-amine.
What is the SMILES notation for 1-thiophen-2-yloctan-1-amine?
The canonical SMILES for 1-thiophen-2-yloctan-1-amine is CCCCCCCC(N)c1cccs1.
What is the InChIKey of 1-thiophen-2-yloctan-1-amine?
The InChIKey is UQQHXDWYXJQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-11H,2-6,8,13H2,1H3.
What are the key properties of 1-thiophen-2-yloctan-1-amine?
1-thiophen-2-yloctan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yloctan-1-amine is sourced from PubChem (CID 22115201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).