N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C15H24N2S — CID 81298610

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCc1ccsc1C(C)NC1CCN2CCCC2C1
InChIInChI=1S/C15H24N2S/c1-11-6-9-18-15(11)12(2)16-13-5-8-17-7-3-4-14(17)10-13/h6,9,12-14,16H,3-5,7-8,10H2,1-2H3
InChIKeyZZOWDWKIMFMTLI-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.33
Rot. Bonds3

About N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 81298610) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID81298610
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCc1ccsc1C(C)NC1CCN2CCCC2C1
InChIInChI=1S/C15H24N2S/c1-11-6-9-18-15(11)12(2)16-13-5-8-17-7-3-4-14(17)10-13/h6,9,12-14,16H,3-5,7-8,10H2,1-2H3
InChIKeyZZOWDWKIMFMTLI-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-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-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992
N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298392
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297104
N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 113260246
cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 63992476
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 115728439
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296909
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690670
N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298614
N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine
CID 63992505

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 81298610) is N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is Cc1ccsc1C(C)NC1CCN2CCCC2C1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is ZZOWDWKIMFMTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-6-9-18-15(11)12(2)16-13-5-8-17-7-3-4-14(17)10-13/h6,9,12-14,16H,3-5,7-8,10H2,1-2H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 264.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 81298610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).