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

C16H25N3O2 — CID 106114847

IUPAC3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C16H25N3O2/c1-3-5-13(7-10-20)12-18-15(14-6-4-11-21-14)16-17-8-9-19(16)2/h4,6,8-9,11,13,15,18,20H,3,5,7,10,12H2,1-2H3
InChIKeyAXWMFDOTEZLMIC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.49
Rot. Bonds9

About 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol

3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol (PubChem CID 106114847) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
PubChem CID106114847
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C16H25N3O2/c1-3-5-13(7-10-20)12-18-15(14-6-4-11-21-14)16-17-8-9-19(16)2/h4,6,8-9,11,13,15,18,20H,3,5,7,10,12H2,1-2H3
InChIKeyAXWMFDOTEZLMIC-UHFFFAOYSA-N
XLogP2.49
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol with MolForge

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Related Compounds

2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 43767473
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol
CID 107151567
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]-3-propoxypropan-1-amine
CID 82942538
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 61246713
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
CID 43781268
N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide
CID 107856099
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438

Frequently Asked Questions

What is the IUPAC name of 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol (CID 106114847) is 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol is CCCC(CCO)CNC(c1ccco1)c1nccn1C.
What is the InChIKey of 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol?
The InChIKey is AXWMFDOTEZLMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-5-13(7-10-20)12-18-15(14-6-4-11-21-14)16-17-8-9-19(16)2/h4,6,8-9,11,13,15,18,20H,3,5,7,10,12H2,1-2H3.
What are the key properties of 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol?
3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106114847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).