furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium

C15H24NO2+ — CID 6955169

IUPACfuran-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium
SMILESC=C(C)[C@@H]1CC[C@@H](C)O[C@H]1C[NH2+]Cc1ccco1
InChIInChI=1S/C15H23NO2/c1-11(2)14-7-6-12(3)18-15(14)10-16-9-13-5-4-8-17-13/h4-5,8,12,14-16H,1,6-7,9-10H2,2-3H3/p+1/t12-,14+,15+/m1/s1
InChIKeyQFRCDAQAQCMDPU-SNPRPXQTSA-O
MW250.36 g/mol
LogP2.10
Rot. Bonds5

About furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium

furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium (PubChem CID 6955169) has the molecular formula C15H24NO2+ and a molecular weight of 250.36 g/mol. Its IUPAC name is furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium
PubChem CID6955169
Molecular FormulaC15H24NO2+
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Namefuran-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium
SMILESC=C(C)[C@@H]1CC[C@@H](C)O[C@H]1C[NH2+]Cc1ccco1
InChIInChI=1S/C15H23NO2/c1-11(2)14-7-6-12(3)18-15(14)10-16-9-13-5-4-8-17-13/h4-5,8,12,14-16H,1,6-7,9-10H2,2-3H3/p+1/t12-,14+,15+/m1/s1
InChIKeyQFRCDAQAQCMDPU-SNPRPXQTSA-O
XLogP2.10
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium with MolForge

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Related Compounds

[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(furan-2-ylmethyl)azanium
CID 18389406
(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane
CID 101459506
1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(furan-2-ylmethyl)azanium
CID 3394360
2-(furan-2-ylmethylazaniumyl)acetate
CID 28743082
furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450813
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060
2-(cyclobutylmethyl)furan
CID 139469251
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol
CID 159609669
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
3-(furan-2-yl)-1-(3-methylcyclohexyl)propan-1-ol
CID 105104266
2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol
CID 75509295

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium?
The IUPAC name of furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium (CID 6955169) is furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium?
The canonical SMILES for furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium is C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1C[NH2+]Cc1ccco1.
What is the InChIKey of furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium?
The InChIKey is QFRCDAQAQCMDPU-SNPRPXQTSA-O. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14-7-6-12(3)18-15(14)10-16-9-13-5-4-8-17-13/h4-5,8,12,14-16H,1,6-7,9-10H2,2-3H3/p+1/t12-,14+,15+/m1/s1.
What are the key properties of furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium?
furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium has a molecular weight of 250.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium is sourced from PubChem (CID 6955169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).