N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine

C18H27NS — CID 80526434

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(C)(CNC1CC2CC1C1CCCC21)c1cccs1
InChIInChI=1S/C18H27NS/c1-18(2,17-7-4-8-20-17)11-19-16-10-12-9-15(16)14-6-3-5-13(12)14/h4,7-8,12-16,19H,3,5-6,9-11H2,1-2H3
InChIKeyUHBLIRXQKQGOEU-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.44
Rot. Bonds4

About N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 80526434) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID80526434
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(C)(CNC1CC2CC1C1CCCC21)c1cccs1
InChIInChI=1S/C18H27NS/c1-18(2,17-7-4-8-20-17)11-19-16-10-12-9-15(16)14-6-3-5-13(12)14/h4,7-8,12-16,19H,3,5-6,9-11H2,1-2H3
InChIKeyUHBLIRXQKQGOEU-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine 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 N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 80526434) is N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine is CC(C)(CNC1CC2CC1C1CCCC21)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is UHBLIRXQKQGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-18(2,17-7-4-8-20-17)11-19-16-10-12-9-15(16)14-6-3-5-13(12)14/h4,7-8,12-16,19H,3,5-6,9-11H2,1-2H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 289.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 80526434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).