[(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine

C8H16N2O — CID 129230054

IUPAC[(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
SMILESCN1C[C@H]2COC[C@@]2(CN)C1
InChIInChI=1S/C8H16N2O/c1-10-2-7-3-11-6-8(7,4-9)5-10/h7H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyOMRRCZXKWBOAHW-JGVFFNPUSA-N
MW156.23 g/mol
LogP-0.48
Rot. Bonds1

About [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine

[(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine (PubChem CID 129230054) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine.

Molecular Properties

Compound Name[(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
PubChem CID129230054
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name[(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
SMILESCN1C[C@H]2COC[C@@]2(CN)C1
InChIInChI=1S/C8H16N2O/c1-10-2-7-3-11-6-8(7,4-9)5-10/h7H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyOMRRCZXKWBOAHW-JGVFFNPUSA-N
XLogP-0.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The IUPAC name of [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine (CID 129230054) is [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine.
What is the SMILES notation for [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The canonical SMILES for [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine is CN1C[C@H]2COC[C@@]2(CN)C1.
What is the InChIKey of [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The InChIKey is OMRRCZXKWBOAHW-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-2-7-3-11-6-8(7,4-9)5-10/h7H,2-6,9H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
[(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine has a molecular weight of 156.23 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine is sourced from PubChem (CID 129230054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).