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

C13H19NS — CID 105478508

IUPAC1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine
SMILESCc1c(CCC2(N)CC2)sc2c1CCC2
InChIInChI=1S/C13H19NS/c1-9-10-3-2-4-12(10)15-11(9)5-6-13(14)7-8-13/h2-8,14H2,1H3
InChIKeyRSABOYOEXYMXTB-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.97
Rot. Bonds3

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

1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine (PubChem CID 105478508) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine
PubChem CID105478508
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine
SMILESCc1c(CCC2(N)CC2)sc2c1CCC2
InChIInChI=1S/C13H19NS/c1-9-10-3-2-4-12(10)15-11(9)5-6-13(14)7-8-13/h2-8,14H2,1H3
InChIKeyRSABOYOEXYMXTB-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene;ethane
CID 90932941
(3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)methanamine
CID 130398705
1-[2-(3,5-dimethyl-1H-pyrrol-2-yl)ethyl]cyclopropan-1-amine
CID 105437765
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 123704110
1-[2-(3-methylfuran-2-yl)ethyl]cyclopropan-1-amine
CID 105432794
1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
CID 105493542
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535
1-[2-(2-fluoro-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105447363
4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
CID 105482966
1-[2-(5,6-dihydro-4H-cyclopenta[b]furan-2-yl)ethyl]cyclopropan-1-amine
CID 105445477
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 129040041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine (CID 105478508) is 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine is Cc1c(CCC2(N)CC2)sc2c1CCC2.
What is the InChIKey of 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine?
The InChIKey is RSABOYOEXYMXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9-10-3-2-4-12(10)15-11(9)5-6-13(14)7-8-13/h2-8,14H2,1H3.
What are the key properties of 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine?
1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105478508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).