2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C18H28N2 — CID 115559395

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(CN)N2CC3CCCC3C2)c(C)c1
InChIInChI=1S/C18H28N2/c1-12-7-13(2)18(14(3)8-12)17(9-19)20-10-15-5-4-6-16(15)11-20/h7-8,15-17H,4-6,9-11,19H2,1-3H3
InChIKeyHIYBJEQOAKWYOW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.34
Rot. Bonds3

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115559395) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115559395
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(CN)N2CC3CCCC3C2)c(C)c1
InChIInChI=1S/C18H28N2/c1-12-7-13(2)18(14(3)8-12)17(9-19)20-10-15-5-4-6-16(15)11-20/h7-8,15-17H,4-6,9-11,19H2,1-3H3
InChIKeyHIYBJEQOAKWYOW-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 115559395) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(CN)N2CC3CCCC3C2)c(C)c1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is HIYBJEQOAKWYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-12-7-13(2)18(14(3)8-12)17(9-19)20-10-15-5-4-6-16(15)11-20/h7-8,15-17H,4-6,9-11,19H2,1-3H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115559395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).