3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine

C15H23N3 — CID 69425044

IUPAC3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine
SMILESNCCCc1cccc(N2CC3CNCC3C2)c1
InChIInChI=1S/C15H23N3/c16-6-2-4-12-3-1-5-15(7-12)18-10-13-8-17-9-14(13)11-18/h1,3,5,7,13-14,17H,2,4,6,8-11,16H2
InChIKeyPGOANFLNJCKCKD-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.23
Rot. Bonds4

About 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine

3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine (PubChem CID 69425044) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine
PubChem CID69425044
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine
SMILESNCCCc1cccc(N2CC3CNCC3C2)c1
InChIInChI=1S/C15H23N3/c16-6-2-4-12-3-1-5-15(7-12)18-10-13-8-17-9-14(13)11-18/h1,3,5,7,13-14,17H,2,4,6,8-11,16H2
InChIKeyPGOANFLNJCKCKD-UHFFFAOYSA-N
XLogP1.23
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-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 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine (CID 69425044) is 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine is NCCCc1cccc(N2CC3CNCC3C2)c1.
What is the InChIKey of 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine?
The InChIKey is PGOANFLNJCKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-6-2-4-12-3-1-5-15(7-12)18-10-13-8-17-9-14(13)11-18/h1,3,5,7,13-14,17H,2,4,6,8-11,16H2.
What are the key properties of 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine?
3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)phenyl]propan-1-amine is sourced from PubChem (CID 69425044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).