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

C8H15NO3 — CID 145192922

IUPAC(3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine
SMILESCO[C@@H]1CO[C@]2(N)[C@H](C)CO[C@H]12
InChIInChI=1S/C8H15NO3/c1-5-3-11-7-6(10-2)4-12-8(5,7)9/h5-7H,3-4,9H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyGWBPHINGPNNLDM-WCTZXXKLSA-N
MW173.21 g/mol
LogP-0.28
Rot. Bonds1

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

(3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine (PubChem CID 145192922) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine
PubChem CID145192922
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine
SMILESCO[C@@H]1CO[C@]2(N)[C@H](C)CO[C@H]12
InChIInChI=1S/C8H15NO3/c1-5-3-11-7-6(10-2)4-12-8(5,7)9/h5-7H,3-4,9H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyGWBPHINGPNNLDM-WCTZXXKLSA-N
XLogP-0.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine?
The IUPAC name of (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine (CID 145192922) is (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine.
What is the SMILES notation for (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine?
The canonical SMILES for (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine is CO[C@@H]1CO[C@]2(N)[C@H](C)CO[C@H]12.
What is the InChIKey of (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine?
The InChIKey is GWBPHINGPNNLDM-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-3-11-7-6(10-2)4-12-8(5,7)9/h5-7H,3-4,9H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine?
(3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine has a molecular weight of 173.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-6-methoxy-3-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-3a-amine is sourced from PubChem (CID 145192922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).