(3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine

C13H25NO3 — CID 118057138

IUPAC(3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESCCCC(C)(C)O[C@@H]1CO[C@@H]2[C@H](C)CO[C@@]21N
InChIInChI=1S/C13H25NO3/c1-5-6-12(3,4)17-10-8-15-11-9(2)7-16-13(10,11)14/h9-11H,5-8,14H2,1-4H3/t9-,10-,11-,13-/m1/s1
InChIKeyHLQWEEGEWOAONL-PRULPYPASA-N
MW243.35 g/mol
LogP1.67
Rot. Bonds4

About (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine

(3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (PubChem CID 118057138) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.

Molecular Properties

Compound Name(3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
PubChem CID118057138
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESCCCC(C)(C)O[C@@H]1CO[C@@H]2[C@H](C)CO[C@@]21N
InChIInChI=1S/C13H25NO3/c1-5-6-12(3,4)17-10-8-15-11-9(2)7-16-13(10,11)14/h9-11H,5-8,14H2,1-4H3/t9-,10-,11-,13-/m1/s1
InChIKeyHLQWEEGEWOAONL-PRULPYPASA-N
XLogP1.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The IUPAC name of (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (CID 118057138) is (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.
What is the SMILES notation for (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The canonical SMILES for (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is CCCC(C)(C)O[C@@H]1CO[C@@H]2[C@H](C)CO[C@@]21N.
What is the InChIKey of (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The InChIKey is HLQWEEGEWOAONL-PRULPYPASA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-6-12(3,4)17-10-8-15-11-9(2)7-16-13(10,11)14/h9-11H,5-8,14H2,1-4H3/t9-,10-,11-,13-/m1/s1.
What are the key properties of (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
(3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine has a molecular weight of 243.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aS)-3-methyl-6-(2-methylpentan-2-yloxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is sourced from PubChem (CID 118057138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).