3-(furan-3-ylmethylamino)-3-methylpentan-1-ol

C11H19NO2 — CID 115699077

IUPAC3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccoc1
InChIInChI=1S/C11H19NO2/c1-3-11(2,5-6-13)12-8-10-4-7-14-9-10/h4,7,9,12-13H,3,5-6,8H2,1-2H3
InChIKeyZOUVVEFINVUXOG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.92
Rot. Bonds6

About 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol

3-(furan-3-ylmethylamino)-3-methylpentan-1-ol (PubChem CID 115699077) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
PubChem CID115699077
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccoc1
InChIInChI=1S/C11H19NO2/c1-3-11(2,5-6-13)12-8-10-4-7-14-9-10/h4,7,9,12-13H,3,5-6,8H2,1-2H3
InChIKeyZOUVVEFINVUXOG-UHFFFAOYSA-N
XLogP1.92
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol (CID 115699077) is 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NCc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol?
The InChIKey is ZOUVVEFINVUXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-11(2,5-6-13)12-8-10-4-7-14-9-10/h4,7,9,12-13H,3,5-6,8H2,1-2H3.
What are the key properties of 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol?
3-(furan-3-ylmethylamino)-3-methylpentan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 115699077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).