hex-5-enyl(trihexyl)azanium

C24H50N+ — CID 77003910

IUPAChex-5-enyl(trihexyl)azanium
SMILESC=CCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C24H50N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5H,1,6-24H2,2-4H3/q+1
InChIKeyVZHAMUCYWJROTF-UHFFFAOYSA-N
MW352.67 g/mol
LogP7.90
Rot. Bonds20

About hex-5-enyl(trihexyl)azanium

hex-5-enyl(trihexyl)azanium (PubChem CID 77003910) has the molecular formula C24H50N+ and a molecular weight of 352.67 g/mol. Its IUPAC name is hex-5-enyl(trihexyl)azanium.

Molecular Properties

Compound Namehex-5-enyl(trihexyl)azanium
PubChem CID77003910
Molecular FormulaC24H50N+
Molecular Weight352.67 g/mol
Exact Mass352.39
IUPAC Namehex-5-enyl(trihexyl)azanium
SMILESC=CCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C24H50N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5H,1,6-24H2,2-4H3/q+1
InChIKeyVZHAMUCYWJROTF-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.67
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

Octadecen-1-amine, N,N-dimethyl-
CID 119807
Oleyldimethylamine
CID 5357010
13-Docosen-1-amine, N,N-dimethyl-, (13Z)-
CID 87068691
9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 22958
Ethyldimethyl-oleylammonium bromide
CID 6433482
N,N-Dimethyl-10-undecen-1-amine
CID 6420901
N,N-Diethyl-4-penten-1-amine
CID 559585
Ammonium, 5-hexenyltrimethyl-, iodide
CID 202893
(9Z)-N-Methyl-N-(9Z)-9-octadecenyl-9-octadecen-1-amine
CID 15706419
Ethyldimethyl-9-octadecenylammonium bromide
CID 20838111
N,N-dimethyl-5-hexene-1-amine
CID 16641201
Trimethyl(octadec-9-enyl)azanium
CID 82639

Frequently Asked Questions

What is the IUPAC name of hex-5-enyl(trihexyl)azanium?
The IUPAC name of hex-5-enyl(trihexyl)azanium (CID 77003910) is hex-5-enyl(trihexyl)azanium.
What is the SMILES notation for hex-5-enyl(trihexyl)azanium?
The canonical SMILES for hex-5-enyl(trihexyl)azanium is C=CCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of hex-5-enyl(trihexyl)azanium?
The InChIKey is VZHAMUCYWJROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5H,1,6-24H2,2-4H3/q+1.
What are the key properties of hex-5-enyl(trihexyl)azanium?
hex-5-enyl(trihexyl)azanium has a molecular weight of 352.67 g/mol, XLogP of 7.90, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enyl(trihexyl)azanium is sourced from PubChem (CID 77003910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).