8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium

C18H42N2+2 — CID 175720257

IUPAC8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCCCCCCC[N+](C)(C)CCC
InChIInChI=1S/C18H42N2/c1-7-15-19(3,4)17-13-11-9-10-12-14-18-20(5,6)16-8-2/h7-18H2,1-6H3/q+2
InChIKeyMTPFOLSRVSMPBB-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.30
Rot. Bonds13

About 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium

8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium (PubChem CID 175720257) has the molecular formula C18H42N2+2 and a molecular weight of 286.55 g/mol. Its IUPAC name is 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium.

Molecular Properties

Compound Name8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
PubChem CID175720257
Molecular FormulaC18H42N2+2
Molecular Weight286.55 g/mol
Exact Mass286.33
IUPAC Name8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCCCCCCC[N+](C)(C)CCC
InChIInChI=1S/C18H42N2/c1-7-15-19(3,4)17-13-11-9-10-12-14-18-20(5,6)16-8-2/h7-18H2,1-6H3/q+2
InChIKeyMTPFOLSRVSMPBB-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 54.30
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

heptadecyl-dimethyl-propylazanium
CID 156729751
decyl-dimethyl-tetradecylazanium
CID 13075680
dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159

Frequently Asked Questions

What is the IUPAC name of 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium?
The IUPAC name of 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium (CID 175720257) is 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium.
What is the SMILES notation for 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium?
The canonical SMILES for 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium is CCC[N+](C)(C)CCCCCCCC[N+](C)(C)CCC.
What is the InChIKey of 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium?
The InChIKey is MTPFOLSRVSMPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N2/c1-7-15-19(3,4)17-13-11-9-10-12-14-18-20(5,6)16-8-2/h7-18H2,1-6H3/q+2.
What are the key properties of 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium?
8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium has a molecular weight of 286.55 g/mol, XLogP of 4.30, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium is sourced from PubChem (CID 175720257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).