[(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine

C10H20N2O — CID 129231198

IUPAC[(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
SMILESCC(C)N1C[C@H]2COC[C@@]2(CN)C1
InChIInChI=1S/C10H20N2O/c1-8(2)12-3-9-4-13-7-10(9,5-11)6-12/h8-9H,3-7,11H2,1-2H3/t9-,10+/m0/s1
InChIKeySMNGDLSAEQCLCB-VHSXEESVSA-N
MW184.28 g/mol
LogP0.30
Rot. Bonds2

About [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine

[(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine (PubChem CID 129231198) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine.

Molecular Properties

Compound Name[(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
PubChem CID129231198
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
SMILESCC(C)N1C[C@H]2COC[C@@]2(CN)C1
InChIInChI=1S/C10H20N2O/c1-8(2)12-3-9-4-13-7-10(9,5-11)6-12/h8-9H,3-7,11H2,1-2H3/t9-,10+/m0/s1
InChIKeySMNGDLSAEQCLCB-VHSXEESVSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine 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 [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The IUPAC name of [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine (CID 129231198) is [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine.
What is the SMILES notation for [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The canonical SMILES for [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine is CC(C)N1C[C@H]2COC[C@@]2(CN)C1.
What is the InChIKey of [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
The InChIKey is SMNGDLSAEQCLCB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)12-3-9-4-13-7-10(9,5-11)6-12/h8-9H,3-7,11H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine?
[(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine is sourced from PubChem (CID 129231198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).