1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine

C14H22N2O2 — CID 97415686

IUPAC1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1
InChIInChI=1S/C14H22N2O2/c1-15(2)8-13-6-11-7-16(10-14(11)18-13)9-12-4-3-5-17-12/h3-5,11,13-14H,6-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyNXLFMCSINWGIMO-BNOWGMLFSA-N
MW250.34 g/mol
LogP1.43
Rot. Bonds4

About 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine

1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine (PubChem CID 97415686) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine
PubChem CID97415686
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1
InChIInChI=1S/C14H22N2O2/c1-15(2)8-13-6-11-7-16(10-14(11)18-13)9-12-4-3-5-17-12/h3-5,11,13-14H,6-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyNXLFMCSINWGIMO-BNOWGMLFSA-N
XLogP1.43
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine 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 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine (CID 97415686) is 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1.
What is the InChIKey of 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is NXLFMCSINWGIMO-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15(2)8-13-6-11-7-16(10-14(11)18-13)9-12-4-3-5-17-12/h3-5,11,13-14H,6-10H2,1-2H3/t11-,13-,14+/m1/s1.
What are the key properties of 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine?
1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97415686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).