ethyl-dimethyl-pent-4-enylazanium

C9H20N+ — CID 139860339

IUPACethyl-dimethyl-pent-4-enylazanium
SMILESC=CCCC[N+](C)(C)CC
InChIInChI=1S/C9H20N/c1-5-7-8-9-10(3,4)6-2/h5H,1,6-9H2,2-4H3/q+1
InChIKeyZZWVEMLRTKUHDS-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.05
Rot. Bonds5

About ethyl-dimethyl-pent-4-enylazanium

ethyl-dimethyl-pent-4-enylazanium (PubChem CID 139860339) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is ethyl-dimethyl-pent-4-enylazanium.

Molecular Properties

Compound Nameethyl-dimethyl-pent-4-enylazanium
PubChem CID139860339
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Nameethyl-dimethyl-pent-4-enylazanium
SMILESC=CCCC[N+](C)(C)CC
InChIInChI=1S/C9H20N/c1-5-7-8-9-10(3,4)6-2/h5H,1,6-9H2,2-4H3/q+1
InChIKeyZZWVEMLRTKUHDS-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.05
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

dec-9-enyl-ethyl-dimethylazanium
CID 129287044
triethyl(pent-4-enyl)azanium
CID 87500309
dodecyl-hex-5-enyl-dimethylazanium
CID 14625828
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
2-(dimethylamino)ethyl-dimethyl-pent-4-enylazanium
CID 155589580
ethyl-[6-[2-[6-[2-[6-[2-[6-[2-[6-[ethyl(dimethyl)azaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 101017980
N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide
CID 102116444
ethyl-dimethyl-(3-silylpropyl)azanium
CID 123718595
ethyl-dimethyl-octadec-9-enylazanium bromide
CID 22958
hex-1-ene;zinc
CID 174554611
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086
2-ethenoxyethyl-ethyl-dimethylazanium
CID 86045194

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-pent-4-enylazanium?
The IUPAC name of ethyl-dimethyl-pent-4-enylazanium (CID 139860339) is ethyl-dimethyl-pent-4-enylazanium.
What is the SMILES notation for ethyl-dimethyl-pent-4-enylazanium?
The canonical SMILES for ethyl-dimethyl-pent-4-enylazanium is C=CCCC[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-pent-4-enylazanium?
The InChIKey is ZZWVEMLRTKUHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-5-7-8-9-10(3,4)6-2/h5H,1,6-9H2,2-4H3/q+1.
What are the key properties of ethyl-dimethyl-pent-4-enylazanium?
ethyl-dimethyl-pent-4-enylazanium has a molecular weight of 142.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-pent-4-enylazanium is sourced from PubChem (CID 139860339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).