2-hydroxyethyl-tris(pent-2-enyl)azanium

C17H32NO+ — CID 57160331

IUPAC2-hydroxyethyl-tris(pent-2-enyl)azanium
SMILESCCC=CC[N+](CC=CCC)(CC=CCC)CCO
InChIInChI=1S/C17H32NO/c1-4-7-10-13-18(16-17-19,14-11-8-5-2)15-12-9-6-3/h7-12,19H,4-6,13-17H2,1-3H3/q+1
InChIKeyXNFQFCRZSCRHBO-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.69
Rot. Bonds11

About 2-hydroxyethyl-tris(pent-2-enyl)azanium

2-hydroxyethyl-tris(pent-2-enyl)azanium (PubChem CID 57160331) has the molecular formula C17H32NO+ and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-hydroxyethyl-tris(pent-2-enyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-tris(pent-2-enyl)azanium
PubChem CID57160331
Molecular FormulaC17H32NO+
Molecular Weight266.45 g/mol
Exact Mass266.25
IUPAC Name2-hydroxyethyl-tris(pent-2-enyl)azanium
SMILESCCC=CC[N+](CC=CCC)(CC=CCC)CCO
InChIInChI=1S/C17H32NO/c1-4-7-10-13-18(16-17-19,14-11-8-5-2)15-12-9-6-3/h7-12,19H,4-6,13-17H2,1-3H3/q+1
InChIKeyXNFQFCRZSCRHBO-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
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

2-(Digeranylamino)ethanol
CID 6439694
Ethanol,8,12-trimethyl-3,7,11-tridecatrienyl)(methyl)amino]-, (E,E)-
CID 5470377
2-[Bis(3,7-dimethylocta-2,6-dien-1-yl)amino]ethan-1-ol
CID 134785
dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium
CID 5282454
Dimethyl-bis[4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium
CID 173412
[(E)-but-2-enyl]-(2-hydroxyethyl)-dimethylazanium
CID 15029192
2-[bis[(E)-hex-3-enyl]amino]ethanol
CID 20336956
actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
CID 21027129
2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
CID 21027130
2-[methyl-[(2E)-octa-2,7-dienyl]amino]ethanol
CID 24764248
2-[Bis(hex-3-enyl)amino]ethanol
CID 54039173
Tris(hex-2-enyl)-(1-hydroxyethyl)azanium
CID 57017199

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-tris(pent-2-enyl)azanium?
The IUPAC name of 2-hydroxyethyl-tris(pent-2-enyl)azanium (CID 57160331) is 2-hydroxyethyl-tris(pent-2-enyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-tris(pent-2-enyl)azanium?
The canonical SMILES for 2-hydroxyethyl-tris(pent-2-enyl)azanium is CCC=CC[N+](CC=CCC)(CC=CCC)CCO.
What is the InChIKey of 2-hydroxyethyl-tris(pent-2-enyl)azanium?
The InChIKey is XNFQFCRZSCRHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NO/c1-4-7-10-13-18(16-17-19,14-11-8-5-2)15-12-9-6-3/h7-12,19H,4-6,13-17H2,1-3H3/q+1.
What are the key properties of 2-hydroxyethyl-tris(pent-2-enyl)azanium?
2-hydroxyethyl-tris(pent-2-enyl)azanium has a molecular weight of 266.45 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-tris(pent-2-enyl)azanium is sourced from PubChem (CID 57160331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).