1-phenylethyl-tris(prop-2-enyl)azanium hydroxide

C17H25NO — CID 88601133

IUPAC1-phenylethyl-tris(prop-2-enyl)azanium hydroxide
SMILESC=CC[N+](CC=C)(CC=C)C(C)c1ccccc1.[OH-]
InChIInChI=1S/C17H24N.H2O/c1-5-13-18(14-6-2,15-7-3)16(4)17-11-9-8-10-12-17;/h5-12,16H,1-3,13-15H2,4H3;1H2/q+1;/p-1
InChIKeyRWGJSKVAIUGQEH-UHFFFAOYSA-M
MW259.39 g/mol
LogP3.95
Rot. Bonds8

About 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide

1-phenylethyl-tris(prop-2-enyl)azanium hydroxide (PubChem CID 88601133) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide.

Molecular Properties

Compound Name1-phenylethyl-tris(prop-2-enyl)azanium hydroxide
PubChem CID88601133
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-phenylethyl-tris(prop-2-enyl)azanium hydroxide
SMILESC=CC[N+](CC=C)(CC=C)C(C)c1ccccc1.[OH-]
InChIInChI=1S/C17H24N.H2O/c1-5-13-18(14-6-2,15-7-3)16(4)17-11-9-8-10-12-17;/h5-12,16H,1-3,13-15H2,4H3;1H2/q+1;/p-1
InChIKeyRWGJSKVAIUGQEH-UHFFFAOYSA-M
XLogP3.95
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-(1-phenylethyl)-bis(prop-2-enyl)azanium
CID 87531250
[chloro(phenyl)methyl]-dimethyl-prop-2-enylazanium
CID 87644152
(S)-methyl-phenyl-propan-2-yl-prop-2-enylazanium
CID 163299620
1-phenylethanamine;N-prop-2-enylprop-2-en-1-amine
CID 174913202
trimethyl(1-phenylethyl)azanium;hydroiodide
CID 126959602
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
dimethyl-phenyl-(1-phenylethyl)azanium hydroxide
CID 87491216
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
lithium [(1S)-1-phenylethyl]-prop-2-enylazanide
CID 10899068
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
azane;trimethyl(1-phenylethyl)azanium;chloride
CID 174615232
dimethyl-phenyl-prop-2-enylazanium bromide
CID 17388668

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide?
The IUPAC name of 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide (CID 88601133) is 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide.
What is the SMILES notation for 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide?
The canonical SMILES for 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide is C=CC[N+](CC=C)(CC=C)C(C)c1ccccc1.[OH-].
What is the InChIKey of 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide?
The InChIKey is RWGJSKVAIUGQEH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H24N.H2O/c1-5-13-18(14-6-2,15-7-3)16(4)17-11-9-8-10-12-17;/h5-12,16H,1-3,13-15H2,4H3;1H2/q+1;/p-1.
What are the key properties of 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide?
1-phenylethyl-tris(prop-2-enyl)azanium hydroxide has a molecular weight of 259.39 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl-tris(prop-2-enyl)azanium hydroxide is sourced from PubChem (CID 88601133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).