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

C7H13NO2 — CID 146367643

IUPAC(3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESCC1CO[C@@H]2CCO[C@]12N
InChIInChI=1S/C7H13NO2/c1-5-4-9-6-2-3-10-7(5,6)8/h5-6H,2-4,8H2,1H3/t5?,6-,7-/m1/s1
InChIKeyYCAZYJPTDRCMAK-JXBXZBNISA-N
MW143.19 g/mol
LogP0.10
Rot. Bonds

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

(3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (PubChem CID 146367643) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.

Molecular Properties

Compound Name(3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
PubChem CID146367643
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine
SMILESCC1CO[C@@H]2CCO[C@]12N
InChIInChI=1S/C7H13NO2/c1-5-4-9-6-2-3-10-7(5,6)8/h5-6H,2-4,8H2,1H3/t5?,6-,7-/m1/s1
InChIKeyYCAZYJPTDRCMAK-JXBXZBNISA-N
XLogP0.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The IUPAC name of (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine (CID 146367643) is (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine.
What is the SMILES notation for (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The canonical SMILES for (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is CC1CO[C@@H]2CCO[C@]12N.
What is the InChIKey of (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
The InChIKey is YCAZYJPTDRCMAK-JXBXZBNISA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-4-9-6-2-3-10-7(5,6)8/h5-6H,2-4,8H2,1H3/t5?,6-,7-/m1/s1.
What are the key properties of (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine?
(3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine has a molecular weight of 143.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-6-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-amine is sourced from PubChem (CID 146367643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).