1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

C13H21NO3 — CID 104759685

IUPAC1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1(OC)CCOC1)c1ccco1
InChIInChI=1S/C13H21NO3/c1-3-11(12-5-4-7-17-12)14-9-13(15-2)6-8-16-10-13/h4-5,7,11,14H,3,6,8-10H2,1-2H3
InChIKeyAFMPXFDNJDJEAH-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.13
Rot. Bonds6

About 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (PubChem CID 104759685) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
PubChem CID104759685
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1(OC)CCOC1)c1ccco1
InChIInChI=1S/C13H21NO3/c1-3-11(12-5-4-7-17-12)14-9-13(15-2)6-8-16-10-13/h4-5,7,11,14H,3,6,8-10H2,1-2H3
InChIKeyAFMPXFDNJDJEAH-UHFFFAOYSA-N
XLogP2.13
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (CID 104759685) is 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is CCC(NCC1(OC)CCOC1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The InChIKey is AFMPXFDNJDJEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-11(12-5-4-7-17-12)14-9-13(15-2)6-8-16-10-13/h4-5,7,11,14H,3,6,8-10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104759685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).