3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine

C10H17NO4 — CID 141061024

IUPAC3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine
SMILESCOc1oc(CCCN)c(OC)c1OC
InChIInChI=1S/C10H17NO4/c1-12-8-7(5-4-6-11)15-10(14-3)9(8)13-2/h4-6,11H2,1-3H3
InChIKeyWSPJXEXAGUAKQY-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.20
Rot. Bonds6

About 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine

3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine (PubChem CID 141061024) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine
PubChem CID141061024
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine
SMILESCOc1oc(CCCN)c(OC)c1OC
InChIInChI=1S/C10H17NO4/c1-12-8-7(5-4-6-11)15-10(14-3)9(8)13-2/h4-6,11H2,1-3H3
InChIKeyWSPJXEXAGUAKQY-UHFFFAOYSA-N
XLogP1.20
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine?
The IUPAC name of 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine (CID 141061024) is 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine?
The canonical SMILES for 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine is COc1oc(CCCN)c(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine?
The InChIKey is WSPJXEXAGUAKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-12-8-7(5-4-6-11)15-10(14-3)9(8)13-2/h4-6,11H2,1-3H3.
What are the key properties of 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine?
3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine has a molecular weight of 215.25 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxyfuran-2-yl)propan-1-amine is sourced from PubChem (CID 141061024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).