CID 71434342

C36H74N+ — CID 71434342

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC[N+]CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3/q+1
InChIKeyZAVDOGYZJGZXDH-UHFFFAOYSA-N
MW521.00 g/mol
LogP13.11
Rot. Bonds34

About CID 71434342

CID 71434342 (PubChem CID 71434342) has the molecular formula C36H74N+ and a molecular weight of 521.00 g/mol.

Molecular Properties

Compound NameCID 71434342
PubChem CID71434342
Molecular FormulaC36H74N+
Molecular Weight521.00 g/mol
Exact Mass520.58
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC[N+]CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3/q+1
InChIKeyZAVDOGYZJGZXDH-UHFFFAOYSA-N
XLogP13.11
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.00
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of CID 71434342?
The IUPAC name of CID 71434342 (CID 71434342) is not available.
What is the SMILES notation for CID 71434342?
The canonical SMILES for CID 71434342 is CCCCCCCCCCCCCCCCCC[N+]CCCCCCCCCCCCCCCCCC.
What is the InChIKey of CID 71434342?
The InChIKey is ZAVDOGYZJGZXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3/q+1.
What are the key properties of CID 71434342?
CID 71434342 has a molecular weight of 521.00 g/mol, XLogP of 13.11, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71434342 is sourced from PubChem (CID 71434342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).