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

C8H15NO2 — CID 145140776

IUPAC(3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESCC1CO[C@]2(N)C(C)CO[C@H]12
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-DWYQZRHDSA-N
MW157.21 g/mol
LogP0.34
Rot. Bonds

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

(3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (PubChem CID 145140776) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.

Molecular Properties

Compound Name(3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
PubChem CID145140776
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESCC1CO[C@]2(N)C(C)CO[C@H]12
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-DWYQZRHDSA-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

Analyze (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine 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,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The IUPAC name of (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (CID 145140776) is (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.
What is the SMILES notation for (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The canonical SMILES for (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is CC1CO[C@]2(N)C(C)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The InChIKey is MXSUGOMEDHOXCO-DWYQZRHDSA-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 (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
(3aR,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 (3aR,6aR)-3,6-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is sourced from PubChem (CID 145140776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).