N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine

C18H18N2S — CID 107038125

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine
SMILESc1cc2cc(CNCc3cc4c(s3)CCC4)ccc2cn1
InChIInChI=1S/C18H18N2S/c1-2-15-9-17(21-18(15)3-1)12-20-10-13-4-5-16-11-19-7-6-14(16)8-13/h4-9,11,20H,1-3,10,12H2
InChIKeyYTTKNVWUHIJOOX-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.07
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine (PubChem CID 107038125) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine
PubChem CID107038125
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine
SMILESc1cc2cc(CNCc3cc4c(s3)CCC4)ccc2cn1
InChIInChI=1S/C18H18N2S/c1-2-15-9-17(21-18(15)3-1)12-20-10-13-4-5-16-11-19-7-6-14(16)8-13/h4-9,11,20H,1-3,10,12H2
InChIKeyYTTKNVWUHIJOOX-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 79969750
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881524
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzonitrile
CID 61206641
1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185996
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine
CID 112755344
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 107038302
1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
CID 107166584
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 61207957
N-(isoquinolin-6-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 107038110

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine (CID 107038125) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine is c1cc2cc(CNCc3cc4c(s3)CCC4)ccc2cn1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine?
The InChIKey is YTTKNVWUHIJOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-15-9-17(21-18(15)3-1)12-20-10-13-4-5-16-11-19-7-6-14(16)8-13/h4-9,11,20H,1-3,10,12H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine is sourced from PubChem (CID 107038125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).