1-thiophen-2-ylundecan-1-amine

C15H27NS — CID 63414388

IUPAC1-thiophen-2-ylundecan-1-amine
SMILESCCCCCCCCCCC(N)c1cccs1
InChIInChI=1S/C15H27NS/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14H,2-9,11,16H2,1H3
InChIKeyQFBJIACORVBJLP-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.28
Rot. Bonds10

About 1-thiophen-2-ylundecan-1-amine

1-thiophen-2-ylundecan-1-amine (PubChem CID 63414388) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 1-thiophen-2-ylundecan-1-amine.

Molecular Properties

Compound Name1-thiophen-2-ylundecan-1-amine
PubChem CID63414388
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name1-thiophen-2-ylundecan-1-amine
SMILESCCCCCCCCCCC(N)c1cccs1
InChIInChI=1S/C15H27NS/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14H,2-9,11,16H2,1H3
InChIKeyQFBJIACORVBJLP-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.28
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-yloctan-1-amine
CID 22115201
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-ylundecan-1-amine?
The IUPAC name of 1-thiophen-2-ylundecan-1-amine (CID 63414388) is 1-thiophen-2-ylundecan-1-amine.
What is the SMILES notation for 1-thiophen-2-ylundecan-1-amine?
The canonical SMILES for 1-thiophen-2-ylundecan-1-amine is CCCCCCCCCCC(N)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylundecan-1-amine?
The InChIKey is QFBJIACORVBJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14H,2-9,11,16H2,1H3.
What are the key properties of 1-thiophen-2-ylundecan-1-amine?
1-thiophen-2-ylundecan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylundecan-1-amine is sourced from PubChem (CID 63414388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).