3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium

C16H26N2O+2 — CID 7241982

IUPAC3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium
SMILESC(=C/c1ccccc1)\C[NH2+]CCC[NH+]1CCOCC1
InChIInChI=1S/C16H24N2O/c1-2-6-16(7-3-1)8-4-9-17-10-5-11-18-12-14-19-15-13-18/h1-4,6-8,17H,5,9-15H2/p+2/b8-4+
InChIKeyQTDOGMAUHZOMBG-XBXARRHUSA-P
MW262.40 g/mol
LogP-0.43
Rot. Bonds7

About 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium

3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium (PubChem CID 7241982) has the molecular formula C16H26N2O+2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium.

Molecular Properties

Compound Name3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium
PubChem CID7241982
Molecular FormulaC16H26N2O+2
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium
SMILESC(=C/c1ccccc1)\C[NH2+]CCC[NH+]1CCOCC1
InChIInChI=1S/C16H24N2O/c1-2-6-16(7-3-1)8-4-9-17-10-5-11-18-12-14-19-15-13-18/h1-4,6-8,17H,5,9-15H2/p+2/b8-4+
InChIKeyQTDOGMAUHZOMBG-XBXARRHUSA-P
XLogP-0.43
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7015303
1-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 9411301
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
(E)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide
CID 6998532
[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7458363
1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-phenylethyl]thiourea
CID 9231849
[2-[(3-carbamoyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 8852451
1,3-benzodioxol-5-ylmethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 7248452
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
4-[(3S)-3-phenylbutyl]morpholin-4-ium
CID 6938412
[(2S)-4-(4-methoxyphenyl)butan-2-yl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7014219
4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
CID 7379859

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium?
The IUPAC name of 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium (CID 7241982) is 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium.
What is the SMILES notation for 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium?
The canonical SMILES for 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium is C(=C/c1ccccc1)\C[NH2+]CCC[NH+]1CCOCC1.
What is the InChIKey of 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium?
The InChIKey is QTDOGMAUHZOMBG-XBXARRHUSA-P. The full InChI is InChI=1S/C16H24N2O/c1-2-6-16(7-3-1)8-4-9-17-10-5-11-18-12-14-19-15-13-18/h1-4,6-8,17H,5,9-15H2/p+2/b8-4+.
What are the key properties of 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium?
3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium has a molecular weight of 262.40 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium is sourced from PubChem (CID 7241982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).