6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine

C13H16N2S — CID 172548773

IUPAC6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine
SMILESNCC#Cc1ccc(C#CCCCCN)s1
InChIInChI=1S/C13H16N2S/c14-10-4-2-1-3-6-12-8-9-13(16-12)7-5-11-15/h8-9H,1-2,4,10-11,14-15H2
InChIKeyGKEIXPGTVWWRCU-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.54
Rot. Bonds3

About 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine

6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine (PubChem CID 172548773) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine.

Molecular Properties

Compound Name6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine
PubChem CID172548773
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine
SMILESNCC#Cc1ccc(C#CCCCCN)s1
InChIInChI=1S/C13H16N2S/c14-10-4-2-1-3-6-12-8-9-13(16-12)7-5-11-15/h8-9H,1-2,4,10-11,14-15H2
InChIKeyGKEIXPGTVWWRCU-UHFFFAOYSA-N
XLogP1.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine
CID 172548780
6-(2,3,4-trifluorophenyl)hex-5-yn-1-amine
CID 106208717
6-(3-bromo-2,6-difluorophenyl)hex-5-yn-1-amine
CID 106208884
5-undec-1-ynylthiophene-2-carbaldehyde
CID 18373132
2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene
CID 114959544
6-(3-methylphenyl)hex-5-yn-1-amine
CID 103691725
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
3-[5-(4,4,4-trifluorobutoxymethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 82787654
3-[5-[(2,3-difluorophenoxy)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 63036793
6-(3,4-diethylphenyl)hex-5-yn-1-amine
CID 106208997
5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde
CID 122241633
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine?
The IUPAC name of 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine (CID 172548773) is 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine.
What is the SMILES notation for 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine?
The canonical SMILES for 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine is NCC#Cc1ccc(C#CCCCCN)s1.
What is the InChIKey of 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine?
The InChIKey is GKEIXPGTVWWRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c14-10-4-2-1-3-6-12-8-9-13(16-12)7-5-11-15/h8-9H,1-2,4,10-11,14-15H2.
What are the key properties of 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine?
6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine has a molecular weight of 232.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine is sourced from PubChem (CID 172548773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).