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

C6H12N2O2 — CID 27995845

IUPAC(3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
SMILESN[C@H]1CO[C@@H]2[C@H]1OC[C@@H]2N
InChIInChI=1S/C6H12N2O2/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6H,1-2,7-8H2/t3-,4-,5-,6-/m0/s1
InChIKeyXHQWSUCHPAVLNQ-BXKVDMCESA-N
MW144.17 g/mol
LogP-1.56
Rot. Bonds

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

(3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine (PubChem CID 27995845) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine.

Molecular Properties

Compound Name(3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
PubChem CID27995845
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
SMILESN[C@H]1CO[C@@H]2[C@H]1OC[C@@H]2N
InChIInChI=1S/C6H12N2O2/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6H,1-2,7-8H2/t3-,4-,5-,6-/m0/s1
InChIKeyXHQWSUCHPAVLNQ-BXKVDMCESA-N
XLogP-1.56
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine?
The IUPAC name of (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine (CID 27995845) is (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine.
What is the SMILES notation for (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine?
The canonical SMILES for (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine is N[C@H]1CO[C@@H]2[C@H]1OC[C@@H]2N.
What is the InChIKey of (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine?
The InChIKey is XHQWSUCHPAVLNQ-BXKVDMCESA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6H,1-2,7-8H2/t3-,4-,5-,6-/m0/s1.
What are the key properties of (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine?
(3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine has a molecular weight of 144.17 g/mol, XLogP of -1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine is sourced from PubChem (CID 27995845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).