(3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine

C20H24N2O2 — CID 70367454

IUPAC(3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
SMILESc1ccc(CNC2CO[C@@H]3[C@@H](NCc4ccccc4)CO[C@H]23)cc1
InChIInChI=1S/C20H24N2O2/c1-3-7-15(8-4-1)11-21-17-13-23-20-18(14-24-19(17)20)22-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18?,19+,20+/m0/s1
InChIKeyLXUAQOQHELUDRS-LTLCQPOLSA-N
MW324.42 g/mol
LogP2.10
Rot. Bonds6

About (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine

(3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine (PubChem CID 70367454) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine.

Molecular Properties

Compound Name(3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
PubChem CID70367454
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
SMILESc1ccc(CNC2CO[C@@H]3[C@@H](NCc4ccccc4)CO[C@H]23)cc1
InChIInChI=1S/C20H24N2O2/c1-3-7-15(8-4-1)11-21-17-13-23-20-18(14-24-19(17)20)22-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18?,19+,20+/m0/s1
InChIKeyLXUAQOQHELUDRS-LTLCQPOLSA-N
XLogP2.10
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine 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 (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine?
The IUPAC name of (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine (CID 70367454) is (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine.
What is the SMILES notation for (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine?
The canonical SMILES for (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine is c1ccc(CNC2CO[C@@H]3[C@@H](NCc4ccccc4)CO[C@H]23)cc1.
What is the InChIKey of (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine?
The InChIKey is LXUAQOQHELUDRS-LTLCQPOLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-7-15(8-4-1)11-21-17-13-23-20-18(14-24-19(17)20)22-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18?,19+,20+/m0/s1.
What are the key properties of (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine?
(3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine has a molecular weight of 324.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-3-N,6-N-dibenzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine is sourced from PubChem (CID 70367454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).