(3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine

C8H15NO2 — CID 143340449

IUPAC(3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESC[C@@H]1CO[C@@]2(N)[C@@H]1OC[C@@H]2C
InChIInChI=1S/C8H15NO2/c1-5-3-11-8(9)6(2)4-10-7(5)8/h5-7H,3-4,9H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKeyMXSUGOMEDHOXCO-ULAWRXDQSA-N
MW157.21 g/mol
LogP0.34
Rot. Bonds

About (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine

(3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (PubChem CID 143340449) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.

Molecular Properties

Compound Name(3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
PubChem CID143340449
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESC[C@@H]1CO[C@@]2(N)[C@@H]1OC[C@@H]2C
InChIInChI=1S/C8H15NO2/c1-5-3-11-8(9)6(2)4-10-7(5)8/h5-7H,3-4,9H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKeyMXSUGOMEDHOXCO-ULAWRXDQSA-N
XLogP0.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The IUPAC name of (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (CID 143340449) is (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.
What is the SMILES notation for (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The canonical SMILES for (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is C[C@@H]1CO[C@@]2(N)[C@@H]1OC[C@@H]2C.
What is the InChIKey of (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The InChIKey is MXSUGOMEDHOXCO-ULAWRXDQSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-3-11-8(9)6(2)4-10-7(5)8/h5-7H,3-4,9H2,1-2H3/t5-,6+,7-,8-/m1/s1.
What are the key properties of (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
(3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine has a molecular weight of 157.21 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is sourced from PubChem (CID 143340449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).