N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

C17H25N3S — CID 105009197

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1cc2c(s1)CCC2
InChIInChI=1S/C17H25N3S/c1-3-8-18-14(12-17-19-9-10-20(17)4-2)16-11-13-6-5-7-15(13)21-16/h9-11,14,18H,3-8,12H2,1-2H3
InChIKeyZEXIGOVLBMJUSV-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.74
Rot. Bonds7

About N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 105009197) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID105009197
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1cc2c(s1)CCC2
InChIInChI=1S/C17H25N3S/c1-3-8-18-14(12-17-19-9-10-20(17)4-2)16-11-13-6-5-7-15(13)21-16/h9-11,14,18H,3-8,12H2,1-2H3
InChIKeyZEXIGOVLBMJUSV-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009051
N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 105011203
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316345
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822305
N-[2-(1H-imidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 43497966
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxyethyl]propan-1-amine
CID 105008789
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 61316733
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 105028115
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63527239
3-ethyl-N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 105028097
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 115834245

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (CID 105009197) is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CC)c1cc2c(s1)CCC2.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is ZEXIGOVLBMJUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-8-18-14(12-17-19-9-10-20(17)4-2)16-11-13-6-5-7-15(13)21-16/h9-11,14,18H,3-8,12H2,1-2H3.
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105009197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).