4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol

C15H25NO2 — CID 111436491

IUPAC4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol
SMILESCc1ccc(C2CCCCCN2CCCCO)o1
InChIInChI=1S/C15H25NO2/c1-13-8-9-15(18-13)14-7-3-2-4-10-16(14)11-5-6-12-17/h8-9,14,17H,2-7,10-12H2,1H3
InChIKeyCWMOXKKWOORFQB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.28
Rot. Bonds5

About 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol

4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol (PubChem CID 111436491) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol
PubChem CID111436491
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol
SMILESCc1ccc(C2CCCCCN2CCCCO)o1
InChIInChI=1S/C15H25NO2/c1-13-8-9-15(18-13)14-7-3-2-4-10-16(14)11-5-6-12-17/h8-9,14,17H,2-7,10-12H2,1H3
InChIKeyCWMOXKKWOORFQB-UHFFFAOYSA-N
XLogP3.28
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol with MolForge

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Related Compounds

3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 124742750
2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol
CID 111462332
5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
CID 110923856
1-[(2R)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95981062
bis[2-(5-methylfuran-2-yl)pyrrolidin-1-yl] oxalate
CID 66856340
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
benzoic acid;3-(2-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
CID 21153815
[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea
CID 99619252
2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125130491
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
CID 111110263
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol?
The IUPAC name of 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol (CID 111436491) is 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol.
What is the SMILES notation for 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol?
The canonical SMILES for 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol is Cc1ccc(C2CCCCCN2CCCCO)o1.
What is the InChIKey of 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol?
The InChIKey is CWMOXKKWOORFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-8-9-15(18-13)14-7-3-2-4-10-16(14)11-5-6-12-17/h8-9,14,17H,2-7,10-12H2,1H3.
What are the key properties of 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol?
4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol is sourced from PubChem (CID 111436491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).