ethyl-dimethyl-(4-phenylbutyl)azanium

C14H24N+ — CID 12951677

IUPACethyl-dimethyl-(4-phenylbutyl)azanium
SMILESCC[N+](C)(C)CCCCc1ccccc1
InChIInChI=1S/C14H24N/c1-4-15(2,3)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3/q+1
InChIKeySTCFVZGJENOEPR-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.11
Rot. Bonds6

About ethyl-dimethyl-(4-phenylbutyl)azanium

ethyl-dimethyl-(4-phenylbutyl)azanium (PubChem CID 12951677) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is ethyl-dimethyl-(4-phenylbutyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(4-phenylbutyl)azanium
PubChem CID12951677
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Nameethyl-dimethyl-(4-phenylbutyl)azanium
SMILESCC[N+](C)(C)CCCCc1ccccc1
InChIInChI=1S/C14H24N/c1-4-15(2,3)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3/q+1
InChIKeySTCFVZGJENOEPR-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-octadecyl-(19-phenylnonadecyl)azanium chloride
CID 53421503
hexadecyl-dimethyl-(3-phenylpropyl)azanium
CID 71351064
N,N-dimethyl-6-phenylhexan-1-amine oxide
CID 18702344
triethyl(3-phenylpropyl)azanium
CID 54135056
4-phenylbutylbenzene
CID 141301927
dodecylbenzene;sulfane
CID 20560423
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
octylbenzene
CID 16607
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(4-phenylbutyl)azanium?
The IUPAC name of ethyl-dimethyl-(4-phenylbutyl)azanium (CID 12951677) is ethyl-dimethyl-(4-phenylbutyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(4-phenylbutyl)azanium?
The canonical SMILES for ethyl-dimethyl-(4-phenylbutyl)azanium is CC[N+](C)(C)CCCCc1ccccc1.
What is the InChIKey of ethyl-dimethyl-(4-phenylbutyl)azanium?
The InChIKey is STCFVZGJENOEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N/c1-4-15(2,3)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3/q+1.
What are the key properties of ethyl-dimethyl-(4-phenylbutyl)azanium?
ethyl-dimethyl-(4-phenylbutyl)azanium has a molecular weight of 206.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(4-phenylbutyl)azanium is sourced from PubChem (CID 12951677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).