[5-(2-aminobutyl)furan-2-yl]methanol

C9H15NO2 — CID 170888411

IUPAC[5-(2-aminobutyl)furan-2-yl]methanol
SMILESCCC(N)Cc1ccc(CO)o1
InChIInChI=1S/C9H15NO2/c1-2-7(10)5-8-3-4-9(6-11)12-8/h3-4,7,11H,2,5-6,10H2,1H3
InChIKeyCVBFHSFKWZPGBV-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.05
Rot. Bonds4

About [5-(2-aminobutyl)furan-2-yl]methanol

[5-(2-aminobutyl)furan-2-yl]methanol (PubChem CID 170888411) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [5-(2-aminobutyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-aminobutyl)furan-2-yl]methanol
PubChem CID170888411
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[5-(2-aminobutyl)furan-2-yl]methanol
SMILESCCC(N)Cc1ccc(CO)o1
InChIInChI=1S/C9H15NO2/c1-2-7(10)5-8-3-4-9(6-11)12-8/h3-4,7,11H,2,5-6,10H2,1H3
InChIKeyCVBFHSFKWZPGBV-UHFFFAOYSA-N
XLogP1.05
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-aminobutyl)furan-2-yl]methanol?
The IUPAC name of [5-(2-aminobutyl)furan-2-yl]methanol (CID 170888411) is [5-(2-aminobutyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(2-aminobutyl)furan-2-yl]methanol?
The canonical SMILES for [5-(2-aminobutyl)furan-2-yl]methanol is CCC(N)Cc1ccc(CO)o1.
What is the InChIKey of [5-(2-aminobutyl)furan-2-yl]methanol?
The InChIKey is CVBFHSFKWZPGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-7(10)5-8-3-4-9(6-11)12-8/h3-4,7,11H,2,5-6,10H2,1H3.
What are the key properties of [5-(2-aminobutyl)furan-2-yl]methanol?
[5-(2-aminobutyl)furan-2-yl]methanol has a molecular weight of 169.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminobutyl)furan-2-yl]methanol is sourced from PubChem (CID 170888411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).