3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine

C14H23NO2 — CID 105147712

IUPAC3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)C1CCOC1
InChIInChI=1S/C14H23NO2/c1-2-8-15-14(12-7-10-16-11-12)6-5-13-4-3-9-17-13/h3-4,9,12,14-15H,2,5-8,10-11H2,1H3
InChIKeyLMAGRFNPZVWFOH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.62
Rot. Bonds7

About 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine

3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine (PubChem CID 105147712) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
PubChem CID105147712
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)C1CCOC1
InChIInChI=1S/C14H23NO2/c1-2-8-15-14(12-7-10-16-11-12)6-5-13-4-3-9-17-13/h3-4,9,12,14-15H,2,5-8,10-11H2,1H3
InChIKeyLMAGRFNPZVWFOH-UHFFFAOYSA-N
XLogP2.62
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine (CID 105147712) is 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccco1)C1CCOC1.
What is the InChIKey of 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The InChIKey is LMAGRFNPZVWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-8-15-14(12-7-10-16-11-12)6-5-13-4-3-9-17-13/h3-4,9,12,14-15H,2,5-8,10-11H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine?
3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105147712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).