2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C15H24N2S — CID 79615637

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCC2CC3CCC(C2)N3)s1
InChIInChI=1S/C15H24N2S/c1-11-2-5-15(18-11)10-16-7-6-12-8-13-3-4-14(9-12)17-13/h2,5,12-14,16-17H,3-4,6-10H2,1H3
InChIKeyOOSSJZXZPVVNSF-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.07
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 79615637) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID79615637
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCC2CC3CCC(C2)N3)s1
InChIInChI=1S/C15H24N2S/c1-11-2-5-15(18-11)10-16-7-6-12-8-13-3-4-14(9-12)17-13/h2,5,12-14,16-17H,3-4,6-10H2,1H3
InChIKeyOOSSJZXZPVVNSF-UHFFFAOYSA-N
XLogP3.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 79615637) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNCCC2CC3CCC(C2)N3)s1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is OOSSJZXZPVVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-2-5-15(18-11)10-16-7-6-12-8-13-3-4-14(9-12)17-13/h2,5,12-14,16-17H,3-4,6-10H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 79615637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).