1-thiophen-2-yltridecan-2-amine

C17H31NS — CID 65428259

IUPAC1-thiophen-2-yltridecan-2-amine
SMILESCCCCCCCCCCCC(N)Cc1cccs1
InChIInChI=1S/C17H31NS/c1-2-3-4-5-6-7-8-9-10-12-16(18)15-17-13-11-14-19-17/h11,13-14,16H,2-10,12,15,18H2,1H3
InChIKeyZDERVAKAPAVPKZ-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.54
Rot. Bonds12

About 1-thiophen-2-yltridecan-2-amine

1-thiophen-2-yltridecan-2-amine (PubChem CID 65428259) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is 1-thiophen-2-yltridecan-2-amine.

Molecular Properties

Compound Name1-thiophen-2-yltridecan-2-amine
PubChem CID65428259
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name1-thiophen-2-yltridecan-2-amine
SMILESCCCCCCCCCCCC(N)Cc1cccs1
InChIInChI=1S/C17H31NS/c1-2-3-4-5-6-7-8-9-10-12-16(18)15-17-13-11-14-19-17/h11,13-14,16H,2-10,12,15,18H2,1H3
InChIKeyZDERVAKAPAVPKZ-UHFFFAOYSA-N
XLogP5.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.54
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

2-(2-butyloctyl)thiophene
CID 66609412
N-methyl-1-thiophen-2-yltetradecan-2-amine
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CID 43692705
5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 62604909
7-thiophen-2-ylheptan-3-amine
CID 64505571
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
5-methyl-1-thiophen-2-ylhex-5-en-2-amine
CID 114474492
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
3-methyl-1-thiophen-2-ylhexan-2-amine
CID 61078853

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yltridecan-2-amine?
The IUPAC name of 1-thiophen-2-yltridecan-2-amine (CID 65428259) is 1-thiophen-2-yltridecan-2-amine.
What is the SMILES notation for 1-thiophen-2-yltridecan-2-amine?
The canonical SMILES for 1-thiophen-2-yltridecan-2-amine is CCCCCCCCCCCC(N)Cc1cccs1.
What is the InChIKey of 1-thiophen-2-yltridecan-2-amine?
The InChIKey is ZDERVAKAPAVPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-2-3-4-5-6-7-8-9-10-12-16(18)15-17-13-11-14-19-17/h11,13-14,16H,2-10,12,15,18H2,1H3.
What are the key properties of 1-thiophen-2-yltridecan-2-amine?
1-thiophen-2-yltridecan-2-amine has a molecular weight of 281.51 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yltridecan-2-amine is sourced from PubChem (CID 65428259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).