1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine

C13H17NS — CID 105033706

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1cc2c(s1)CCC2
InChIInChI=1S/C13H17NS/c1-2-3-4-7-11(14)13-9-10-6-5-8-12(10)15-13/h1,9,11H,3-8,14H2
InChIKeyHHNXJOBONBZWQS-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.04
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine (PubChem CID 105033706) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
PubChem CID105033706
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1cc2c(s1)CCC2
InChIInChI=1S/C13H17NS/c1-2-3-4-7-11(14)13-9-10-6-5-8-12(10)15-13/h1,9,11H,3-8,14H2
InChIKeyHHNXJOBONBZWQS-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine
CID 105033893
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 104986647
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
CID 104987233
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
CID 115846126
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 103031371
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030438
2-(5-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115840894

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine (CID 105033706) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine is C#CCCCC(N)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine?
The InChIKey is HHNXJOBONBZWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-2-3-4-7-11(14)13-9-10-6-5-8-12(10)15-13/h1,9,11H,3-8,14H2.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine has a molecular weight of 219.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine is sourced from PubChem (CID 105033706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).