N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine

C17H19NS — CID 76940271

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESC(=Cc1ccccc1)CNCc1cc2c(s1)CCC2
InChIInChI=1S/C17H19NS/c1-2-6-14(7-3-1)8-5-11-18-13-16-12-15-9-4-10-17(15)19-16/h1-3,5-8,12,18H,4,9-11,13H2
InChIKeyDHLFYURZRPGCOC-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.04
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine (PubChem CID 76940271) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine
PubChem CID76940271
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESC(=Cc1ccccc1)CNCc1cc2c(s1)CCC2
InChIInChI=1S/C17H19NS/c1-2-6-14(7-3-1)8-5-11-18-13-16-12-15-9-4-10-17(15)19-16/h1-3,5-8,12,18H,4,9-11,13H2
InChIKeyDHLFYURZRPGCOC-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-phenylpropan-1-amine
CID 61207209
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzene-1,2-diol
CID 61320351
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzonitrile
CID 61206641
1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 79969750
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 61206659
N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 61207961
N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
CID 113405391
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243110
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 64800474
(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 79496015
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 61206877

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine (CID 76940271) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine is C(=Cc1ccccc1)CNCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The InChIKey is DHLFYURZRPGCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-6-14(7-3-1)8-5-11-18-13-16-12-15-9-4-10-17(15)19-16/h1-3,5-8,12,18H,4,9-11,13H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine has a molecular weight of 269.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 76940271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).