2-amino-5-non-8-enylthiophene-3-carbonitrile

C14H20N2S — CID 72704995

IUPAC2-amino-5-non-8-enylthiophene-3-carbonitrile
SMILESC=CCCCCCCCc1cc(C#N)c(N)s1
InChIInChI=1S/C14H20N2S/c1-2-3-4-5-6-7-8-9-13-10-12(11-15)14(16)17-13/h2,10H,1,3-9,16H2
InChIKeyAESVJTAOZYJWDK-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.27
Rot. Bonds8

About 2-amino-5-non-8-enylthiophene-3-carbonitrile

2-amino-5-non-8-enylthiophene-3-carbonitrile (PubChem CID 72704995) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-amino-5-non-8-enylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-non-8-enylthiophene-3-carbonitrile
PubChem CID72704995
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name2-amino-5-non-8-enylthiophene-3-carbonitrile
SMILESC=CCCCCCCCc1cc(C#N)c(N)s1
InChIInChI=1S/C14H20N2S/c1-2-3-4-5-6-7-8-9-13-10-12(11-15)14(16)17-13/h2,10H,1,3-9,16H2
InChIKeyAESVJTAOZYJWDK-UHFFFAOYSA-N
XLogP4.27
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-non-8-enylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-non-8-enylthiophene-3-carbonitrile (CID 72704995) is 2-amino-5-non-8-enylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-non-8-enylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-non-8-enylthiophene-3-carbonitrile is C=CCCCCCCCc1cc(C#N)c(N)s1.
What is the InChIKey of 2-amino-5-non-8-enylthiophene-3-carbonitrile?
The InChIKey is AESVJTAOZYJWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-3-4-5-6-7-8-9-13-10-12(11-15)14(16)17-13/h2,10H,1,3-9,16H2.
What are the key properties of 2-amino-5-non-8-enylthiophene-3-carbonitrile?
2-amino-5-non-8-enylthiophene-3-carbonitrile has a molecular weight of 248.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-non-8-enylthiophene-3-carbonitrile is sourced from PubChem (CID 72704995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).