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

C9H18N2O — CID 129230065

IUPAC[(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
SMILESCCN1C[C@@H]2COC[C@]2(CN)C1
InChIInChI=1S/C9H18N2O/c1-2-11-3-8-4-12-7-9(8,5-10)6-11/h8H,2-7,10H2,1H3/t8-,9+/m1/s1
InChIKeyIKPRLKMPDQBDLD-BDAKNGLRSA-N
MW170.26 g/mol
LogP-0.09
Rot. Bonds2

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

[(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine (PubChem CID 129230065) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine.

Molecular Properties

Compound Name[(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
PubChem CID129230065
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name[(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
SMILESCCN1C[C@@H]2COC[C@]2(CN)C1
InChIInChI=1S/C9H18N2O/c1-2-11-3-8-4-12-7-9(8,5-10)6-11/h8H,2-7,10H2,1H3/t8-,9+/m1/s1
InChIKeyIKPRLKMPDQBDLD-BDAKNGLRSA-N
XLogP-0.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The IUPAC name of [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine (CID 129230065) is [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine.
What is the SMILES notation for [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The canonical SMILES for [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine is CCN1C[C@@H]2COC[C@]2(CN)C1.
What is the InChIKey of [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The InChIKey is IKPRLKMPDQBDLD-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-11-3-8-4-12-7-9(8,5-10)6-11/h8H,2-7,10H2,1H3/t8-,9+/m1/s1.
What are the key properties of [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
[(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine has a molecular weight of 170.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine is sourced from PubChem (CID 129230065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).