[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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Related Compounds

5-(2-aminobutyl)-N,N-dimethylfuran-2-amine
CID 170889541
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
CID 170889125
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
CID 171243533
[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
CID 171250266
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]butan-2-amine;hydrochloride
CID 170889105
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine
CID 170889850
[5-(4-methylpent-1-en-2-yl)furan-2-yl]methanol
CID 169243429

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).