but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium

C19H26NO+ — CID 24990268

IUPACbut-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium
SMILESC=CCOCC(c1ccccc1)[N+](C)(CC#CC)CC=C
InChIInChI=1S/C19H26NO/c1-5-8-15-20(4,14-6-2)19(17-21-16-7-3)18-12-10-9-11-13-18/h6-7,9-13,19H,2-3,14-17H2,1,4H3/q+1
InChIKeyCHVQDUTZHFOYFF-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.59
Rot. Bonds9

About but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium

but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium (PubChem CID 24990268) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium.

Molecular Properties

Compound Namebut-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium
PubChem CID24990268
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Namebut-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium
SMILESC=CCOCC(c1ccccc1)[N+](C)(CC#CC)CC=C
InChIInChI=1S/C19H26NO/c1-5-8-15-20(4,14-6-2)19(17-21-16-7-3)18-12-10-9-11-13-18/h6-7,9-13,19H,2-3,14-17H2,1,4H3/q+1
InChIKeyCHVQDUTZHFOYFF-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[chloro(phenyl)methyl]-dimethyl-prop-2-enylazanium
CID 87644152
(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene
CID 10710562
[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enyl-prop-2-ynylazanium chloride
CID 24989489
1-phenylethyl-tris(prop-2-enyl)azanium hydroxide
CID 88601133
(S)-methyl-phenyl-propan-2-yl-prop-2-enylazanium
CID 163299620
(1-chloro-3-prop-2-enoxypropyl)benzene
CID 14388087
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
2-carboxyphenolate;trimethyl(prop-2-enyl)azanium
CID 70450706
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416
disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
CID 173405020
benzyl-(1-phenylethyl)-bis(prop-2-enyl)azanium
CID 87531250
dimethyl-phenyl-prop-2-enylazanium bromide
CID 17388668

Frequently Asked Questions

What is the IUPAC name of but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium?
The IUPAC name of but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium (CID 24990268) is but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium.
What is the SMILES notation for but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium?
The canonical SMILES for but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium is C=CCOCC(c1ccccc1)[N+](C)(CC#CC)CC=C.
What is the InChIKey of but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium?
The InChIKey is CHVQDUTZHFOYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO/c1-5-8-15-20(4,14-6-2)19(17-21-16-7-3)18-12-10-9-11-13-18/h6-7,9-13,19H,2-3,14-17H2,1,4H3/q+1.
What are the key properties of but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium?
but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium has a molecular weight of 284.42 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium is sourced from PubChem (CID 24990268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).