1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol

C13H24N2O2 — CID 55081357

IUPAC1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccc(C)o1
InChIInChI=1S/C13H24N2O2/c1-4-15(5-2)10-12(16)8-14-9-13-7-6-11(3)17-13/h6-7,12,14,16H,4-5,8-10H2,1-3H3
InChIKeyUHEFWPJEJUJFFM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.38
Rot. Bonds8

About 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol

1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol (PubChem CID 55081357) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
PubChem CID55081357
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccc(C)o1
InChIInChI=1S/C13H24N2O2/c1-4-15(5-2)10-12(16)8-14-9-13-7-6-11(3)17-13/h6-7,12,14,16H,4-5,8-10H2,1-3H3
InChIKeyUHEFWPJEJUJFFM-UHFFFAOYSA-N
XLogP1.38
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol (CID 55081357) is 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol is CCN(CC)CC(O)CNCc1ccc(C)o1.
What is the InChIKey of 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol?
The InChIKey is UHEFWPJEJUJFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-15(5-2)10-12(16)8-14-9-13-7-6-11(3)17-13/h6-7,12,14,16H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol?
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 55081357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).