2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine

C12H21N3S — CID 65138714

IUPAC2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1C(N)CSC1CCCC1
InChIInChI=1S/C12H21N3S/c1-2-15-8-7-14-12(15)11(13)9-16-10-5-3-4-6-10/h7-8,10-11H,2-6,9,13H2,1H3
InChIKeyIZCJGLZKPQIKAU-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine

2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 65138714) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
PubChem CID65138714
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1C(N)CSC1CCCC1
InChIInChI=1S/C12H21N3S/c1-2-15-8-7-14-12(15)11(13)9-16-10-5-3-4-6-10/h7-8,10-11H,2-6,9,13H2,1H3
InChIKeyIZCJGLZKPQIKAU-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine 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

[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine
CID 105227664
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 115860150
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
CID 115800045
2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine
CID 114283418
(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine
CID 115860223
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
CID 116661175
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine (CID 65138714) is 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine is CCn1ccnc1C(N)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is IZCJGLZKPQIKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-15-8-7-14-12(15)11(13)9-16-10-5-3-4-6-10/h7-8,10-11H,2-6,9,13H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine?
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 65138714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).