1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine

C13H21NS — CID 115846126

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc2c(s1)CCC2
InChIInChI=1S/C13H21NS/c1-3-9(2)7-11(14)13-8-10-5-4-6-12(10)15-13/h8-9,11H,3-7,14H2,1-2H3
InChIKeyCTJARSGUPXHLQP-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.67
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine (PubChem CID 115846126) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
PubChem CID115846126
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc2c(s1)CCC2
InChIInChI=1S/C13H21NS/c1-3-9(2)7-11(14)13-8-10-5-4-6-12(10)15-13/h8-9,11H,3-7,14H2,1-2H3
InChIKeyCTJARSGUPXHLQP-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-en-1-amine
CID 105003788
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-amine
CID 115845468
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
2-(5-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115840894
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
CID 105033706
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

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine (CID 115846126) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine is CCC(C)CC(N)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine?
The InChIKey is CTJARSGUPXHLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-9(2)7-11(14)13-8-10-5-4-6-12(10)15-13/h8-9,11H,3-7,14H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.67, 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)-3-methylpentan-1-amine is sourced from PubChem (CID 115846126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).