6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol

C15H23N3O2 — CID 107849626

IUPAC6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
SMILESCn1ccnc1C(NCCCCCCO)c1ccco1
InChIInChI=1S/C15H23N3O2/c1-18-10-9-17-15(18)14(13-7-6-12-20-13)16-8-4-2-3-5-11-19/h6-7,9-10,12,14,16,19H,2-5,8,11H2,1H3
InChIKeyFYUSOFQOWFNXQL-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.24
Rot. Bonds9

About 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol

6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol (PubChem CID 107849626) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
PubChem CID107849626
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
SMILESCn1ccnc1C(NCCCCCCO)c1ccco1
InChIInChI=1S/C15H23N3O2/c1-18-10-9-17-15(18)14(13-7-6-12-20-13)16-8-4-2-3-5-11-19/h6-7,9-10,12,14,16,19H,2-5,8,11H2,1H3
InChIKeyFYUSOFQOWFNXQL-UHFFFAOYSA-N
XLogP2.24
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020764
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770887
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
CID 106114847
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
[1-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115454330
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573

Frequently Asked Questions

What is the IUPAC name of 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol?
The IUPAC name of 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol (CID 107849626) is 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol is Cn1ccnc1C(NCCCCCCO)c1ccco1.
What is the InChIKey of 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol?
The InChIKey is FYUSOFQOWFNXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-10-9-17-15(18)14(13-7-6-12-20-13)16-8-4-2-3-5-11-19/h6-7,9-10,12,14,16,19H,2-5,8,11H2,1H3.
What are the key properties of 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol?
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol has a molecular weight of 277.37 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol is sourced from PubChem (CID 107849626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).