10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium

C20H38N2+2 — CID 24837342

IUPAC10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)CC#CCCCCC#CC[N+](C)(CC)CC
InChIInChI=1S/C20H38N2/c1-7-21(5,8-2)19-17-15-13-11-12-14-16-18-20-22(6,9-3)10-4/h7-14,19-20H2,1-6H3/q+2
InChIKeyPRPNTPUHESARFQ-UHFFFAOYSA-N
MW306.54 g/mol
LogP3.53
Rot. Bonds9

About 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium

10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium (PubChem CID 24837342) has the molecular formula C20H38N2+2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium.

Molecular Properties

Compound Name10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium
PubChem CID24837342
Molecular FormulaC20H38N2+2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)CC#CCCCCC#CC[N+](C)(CC)CC
InChIInChI=1S/C20H38N2/c1-7-21(5,8-2)19-17-15-13-11-12-14-16-18-20-22(6,9-3)10-4/h7-14,19-20H2,1-6H3/q+2
InChIKeyPRPNTPUHESARFQ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 53.53
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl-methyl-pent-2-ynylazanium
CID 59019143
non-2-ynyl(trioctyl)azanium
CID 71385912
henicos-8-yne
CID 22224321
hex-2-ynyl(trimethyl)azanium
CID 71317889
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
pentadeca-5,10-diyne
CID 15530767
trideca-2,8-diyne
CID 90921383
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
ethyl-[6-[ethyl(dimethyl)azaniumyl]hex-3-ynyl]-dimethylazanium diiodide
CID 24838716
ethyl-dimethyl-oct-1-ynoxyazanium
CID 21279585

Frequently Asked Questions

What is the IUPAC name of 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium?
The IUPAC name of 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium (CID 24837342) is 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium.
What is the SMILES notation for 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium?
The canonical SMILES for 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium is CC[N+](C)(CC)CC#CCCCCC#CC[N+](C)(CC)CC.
What is the InChIKey of 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium?
The InChIKey is PRPNTPUHESARFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-7-21(5,8-2)19-17-15-13-11-12-14-16-18-20-22(6,9-3)10-4/h7-14,19-20H2,1-6H3/q+2.
What are the key properties of 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium?
10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium has a molecular weight of 306.54 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[diethyl(methyl)azaniumyl]deca-2,8-diynyl-diethyl-methylazanium is sourced from PubChem (CID 24837342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).