[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine

C8H17N3 — CID 135040888

IUPAC[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine
SMILESCN1C[C@@H]2CN[C@@H](CN)[C@@H]2C1
InChIInChI=1S/C8H17N3/c1-11-4-6-3-10-8(2-9)7(6)5-11/h6-8,10H,2-5,9H2,1H3/t6-,7+,8-/m0/s1
InChIKeyVIRAISKBGYQFPV-RNJXMRFFSA-N
MW155.24 g/mol
LogP-0.91
Rot. Bonds1

About [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine

[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine (PubChem CID 135040888) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine
PubChem CID135040888
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine
SMILESCN1C[C@@H]2CN[C@@H](CN)[C@@H]2C1
InChIInChI=1S/C8H17N3/c1-11-4-6-3-10-8(2-9)7(6)5-11/h6-8,10H,2-5,9H2,1H3/t6-,7+,8-/m0/s1
InChIKeyVIRAISKBGYQFPV-RNJXMRFFSA-N
XLogP-0.91
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine?
The IUPAC name of [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine (CID 135040888) is [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine.
What is the SMILES notation for [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine?
The canonical SMILES for [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine is CN1C[C@@H]2CN[C@@H](CN)[C@@H]2C1.
What is the InChIKey of [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine?
The InChIKey is VIRAISKBGYQFPV-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H17N3/c1-11-4-6-3-10-8(2-9)7(6)5-11/h6-8,10H,2-5,9H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine?
[(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine has a molecular weight of 155.24 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine is sourced from PubChem (CID 135040888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).