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

C10H17NO2 — CID 115655869

IUPAC3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)(CCO)NCc1ccoc1
InChIInChI=1S/C10H17NO2/c1-10(2,4-5-12)11-7-9-3-6-13-8-9/h3,6,8,11-12H,4-5,7H2,1-2H3
InChIKeyRKCZUTUPIXYKBN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.53
Rot. Bonds5

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

3-(furan-3-ylmethylamino)-3-methylbutan-1-ol (PubChem CID 115655869) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(furan-3-ylmethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
PubChem CID115655869
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)(CCO)NCc1ccoc1
InChIInChI=1S/C10H17NO2/c1-10(2,4-5-12)11-7-9-3-6-13-8-9/h3,6,8,11-12H,4-5,7H2,1-2H3
InChIKeyRKCZUTUPIXYKBN-UHFFFAOYSA-N
XLogP1.53
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.53
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-methylbutan-1-ol?
The IUPAC name of 3-(furan-3-ylmethylamino)-3-methylbutan-1-ol (CID 115655869) is 3-(furan-3-ylmethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(furan-3-ylmethylamino)-3-methylbutan-1-ol?
The canonical SMILES for 3-(furan-3-ylmethylamino)-3-methylbutan-1-ol is CC(C)(CCO)NCc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethylamino)-3-methylbutan-1-ol?
The InChIKey is RKCZUTUPIXYKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,4-5-12)11-7-9-3-6-13-8-9/h3,6,8,11-12H,4-5,7H2,1-2H3.
What are the key properties of 3-(furan-3-ylmethylamino)-3-methylbutan-1-ol?
3-(furan-3-ylmethylamino)-3-methylbutan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.53, 5 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-methylbutan-1-ol is sourced from PubChem (CID 115655869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).