6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol

C13H23NO2 — CID 115697548

IUPAC6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
SMILESCCc1ccc(CNCCCC(O)CC)o1
InChIInChI=1S/C13H23NO2/c1-3-11(15)6-5-9-14-10-13-8-7-12(4-2)16-13/h7-8,11,14-15H,3-6,9-10H2,1-2H3
InChIKeyDKYYVYPRJGIFRA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.48
Rot. Bonds8

About 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol

6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol (PubChem CID 115697548) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol.

Molecular Properties

Compound Name6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
PubChem CID115697548
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
SMILESCCc1ccc(CNCCCC(O)CC)o1
InChIInChI=1S/C13H23NO2/c1-3-11(15)6-5-9-14-10-13-8-7-12(4-2)16-13/h7-8,11,14-15H,3-6,9-10H2,1-2H3
InChIKeyDKYYVYPRJGIFRA-UHFFFAOYSA-N
XLogP2.48
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine
CID 115697427
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
CID 62346664
N-[[5-(methoxymethyl)furan-2-yl]methyl]-4-methylpentan-1-amine
CID 115710483
5-[[4-(trifluoromethyl)heptylamino]methyl]furan-2-carboxylic acid
CID 163837112
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol?
The IUPAC name of 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol (CID 115697548) is 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol.
What is the SMILES notation for 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol?
The canonical SMILES for 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol is CCc1ccc(CNCCCC(O)CC)o1.
What is the InChIKey of 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol?
The InChIKey is DKYYVYPRJGIFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-11(15)6-5-9-14-10-13-8-7-12(4-2)16-13/h7-8,11,14-15H,3-6,9-10H2,1-2H3.
What are the key properties of 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol?
6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol is sourced from PubChem (CID 115697548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).