N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine

C11H21NO3 — CID 59035134

IUPACN-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine
SMILESCO[C@@H]1C=C[C@@](CNC(C)(C)C)(OC)O1
InChIInChI=1S/C11H21NO3/c1-10(2,3)12-8-11(14-5)7-6-9(13-4)15-11/h6-7,9,12H,8H2,1-5H3/t9-,11+/m0/s1
InChIKeyQYCLDANWZCIRSY-GXSJLCMTSA-N
MW215.29 g/mol
LogP1.28
Rot. Bonds4

About N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine

N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 59035134) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID59035134
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine
SMILESCO[C@@H]1C=C[C@@](CNC(C)(C)C)(OC)O1
InChIInChI=1S/C11H21NO3/c1-10(2,3)12-8-11(14-5)7-6-9(13-4)15-11/h6-7,9,12H,8H2,1-5H3/t9-,11+/m0/s1
InChIKeyQYCLDANWZCIRSY-GXSJLCMTSA-N
XLogP1.28
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine (CID 59035134) is N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine is CO[C@@H]1C=C[C@@](CNC(C)(C)C)(OC)O1.
What is the InChIKey of N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QYCLDANWZCIRSY-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)12-8-11(14-5)7-6-9(13-4)15-11/h6-7,9,12H,8H2,1-5H3/t9-,11+/m0/s1.
What are the key properties of N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine?
N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 215.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59035134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).