ethyl-ethylidene-non-1-enylazanium

C13H26N+ — CID 123184575

IUPACethyl-ethylidene-non-1-enylazanium
SMILESC/C=[N+](/C=CCCCCCCC)CC
InChIInChI=1S/C13H26N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3/h5,12-13H,4,6-11H2,1-3H3/q+1/b13-12?,14-5+
InChIKeyAZBYLGHUQJWOLK-KIEXPABESA-N
MW196.36 g/mol
LogP3.98
Rot. Bonds8

About ethyl-ethylidene-non-1-enylazanium

ethyl-ethylidene-non-1-enylazanium (PubChem CID 123184575) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is ethyl-ethylidene-non-1-enylazanium.

Molecular Properties

Compound Nameethyl-ethylidene-non-1-enylazanium
PubChem CID123184575
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Nameethyl-ethylidene-non-1-enylazanium
SMILESC/C=[N+](/C=CCCCCCCC)CC
InChIInChI=1S/C13H26N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3/h5,12-13H,4,6-11H2,1-3H3/q+1/b13-12?,14-5+
InChIKeyAZBYLGHUQJWOLK-KIEXPABESA-N
XLogP3.98
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyldodecenamine
CID 54137614
(E)-N,N-dimethyldec-1-en-1-amine
CID 14389655
(E)-N-ethyl-N-methyldec-1-en-1-amine
CID 14389662
(E)-N,N-dimethyldodec-1-en-1-amine
CID 17921301
[(E)-dec-1-enyl]-trimethylazanium
CID 17921307
(E)-N,N-dimethylundec-1-en-1-amine
CID 21069704
(E)-N,N-dimethyltridec-1-en-1-amine
CID 22930917
(E)-N,N-dimethylnon-1-en-1-amine
CID 23150823
1-methyl-3-octyl-3H-pyrrol-1-ium
CID 53316420
N-triacont-1-enyltriacontan-1-imine
CID 53654380
N-octadec-1-enyloctadecan-1-imine
CID 53764601
N-docos-1-enyldocosan-1-imine
CID 53785812

Frequently Asked Questions

What is the IUPAC name of ethyl-ethylidene-non-1-enylazanium?
The IUPAC name of ethyl-ethylidene-non-1-enylazanium (CID 123184575) is ethyl-ethylidene-non-1-enylazanium.
What is the SMILES notation for ethyl-ethylidene-non-1-enylazanium?
The canonical SMILES for ethyl-ethylidene-non-1-enylazanium is C/C=[N+](/C=CCCCCCCC)CC.
What is the InChIKey of ethyl-ethylidene-non-1-enylazanium?
The InChIKey is AZBYLGHUQJWOLK-KIEXPABESA-N. The full InChI is InChI=1S/C13H26N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3/h5,12-13H,4,6-11H2,1-3H3/q+1/b13-12?,14-5+.
What are the key properties of ethyl-ethylidene-non-1-enylazanium?
ethyl-ethylidene-non-1-enylazanium has a molecular weight of 196.36 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-ethylidene-non-1-enylazanium is sourced from PubChem (CID 123184575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).