2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol

C15H23N3O2 — CID 61246713

IUPAC2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H23N3O2/c1-11(2)9-12(10-19)17-14(13-5-4-8-20-13)15-16-6-7-18(15)3/h4-8,11-12,14,17,19H,9-10H2,1-3H3
InChIKeyDOFRMQKUOCZQOT-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.10
Rot. Bonds7

About 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol

2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol (PubChem CID 61246713) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol
PubChem CID61246713
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H23N3O2/c1-11(2)9-12(10-19)17-14(13-5-4-8-20-13)15-16-6-7-18(15)3/h4-8,11-12,14,17,19H,9-10H2,1-3H3
InChIKeyDOFRMQKUOCZQOT-UHFFFAOYSA-N
XLogP2.10
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
CID 43781268
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
CID 61464680
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
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]-3-methylsulfonylpropan-1-amine
CID 61020764
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol (CID 61246713) is 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol is CC(C)CC(CO)NC(c1ccco1)c1nccn1C.
What is the InChIKey of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol?
The InChIKey is DOFRMQKUOCZQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)9-12(10-19)17-14(13-5-4-8-20-13)15-16-6-7-18(15)3/h4-8,11-12,14,17,19H,9-10H2,1-3H3.
What are the key properties of 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol?
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol has a molecular weight of 277.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 61246713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).