iminomethylideneazanide;bis(pentadecylazanium)

C32H70N6 — CID 156625536

IUPACiminomethylideneazanide;bis(pentadecylazanium)
SMILESCCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCCCCC[NH3+].[N-]=C=N.[N-]=C=N
InChIInChI=1S/2C15H33N.2CHN2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;2*2-1-3/h2*2-16H2,1H3;2*2H/q;;2*-1/p+2
InChIKeyRFDKKRHLVWMBPR-UHFFFAOYSA-P
MW538.95 g/mol
LogP9.26
Rot. Bonds26

About iminomethylideneazanide;bis(pentadecylazanium)

iminomethylideneazanide;bis(pentadecylazanium) (PubChem CID 156625536) has the molecular formula C32H70N6 and a molecular weight of 538.95 g/mol. Its IUPAC name is iminomethylideneazanide;bis(pentadecylazanium).

Molecular Properties

Compound Nameiminomethylideneazanide;bis(pentadecylazanium)
PubChem CID156625536
Molecular FormulaC32H70N6
Molecular Weight538.95 g/mol
Exact Mass538.57
IUPAC Nameiminomethylideneazanide;bis(pentadecylazanium)
SMILESCCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCCCCC[NH3+].[N-]=C=N.[N-]=C=N
InChIInChI=1S/2C15H33N.2CHN2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;2*2-1-3/h2*2-16H2,1H3;2*2H/q;;2*-1/p+2
InChIKeyRFDKKRHLVWMBPR-UHFFFAOYSA-P
XLogP9.26
TPSA147.58 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.95
LogP ≤ 59.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(octadecylazanium);tribromide
CID 141071881
undecylazanium bromide
CID 87480687
tetratriacontylazanium bromide
CID 141191350
dodecylazanium;hydrochloride
CID 22568612
tridecylazanium;chloride;hydrate
CID 139080710
dodecylazanium;bromide;hydrate
CID 139078665
ethane;1-fluorohexane;hexylazanium
CID 145193616
dodecylazanium tetrafluoroborate
CID 141181929
octylazanium;carbonate
CID 141329834
hexylazanium;sulfate
CID 88757421
octylazanium;sulfate
CID 87714647
hexadecane;isocyanic acid
CID 159966047

Frequently Asked Questions

What is the IUPAC name of iminomethylideneazanide;bis(pentadecylazanium)?
The IUPAC name of iminomethylideneazanide;bis(pentadecylazanium) (CID 156625536) is iminomethylideneazanide;bis(pentadecylazanium).
What is the SMILES notation for iminomethylideneazanide;bis(pentadecylazanium)?
The canonical SMILES for iminomethylideneazanide;bis(pentadecylazanium) is CCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCCCCC[NH3+].[N-]=C=N.[N-]=C=N.
What is the InChIKey of iminomethylideneazanide;bis(pentadecylazanium)?
The InChIKey is RFDKKRHLVWMBPR-UHFFFAOYSA-P. The full InChI is InChI=1S/2C15H33N.2CHN2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;2*2-1-3/h2*2-16H2,1H3;2*2H/q;;2*-1/p+2.
What are the key properties of iminomethylideneazanide;bis(pentadecylazanium)?
iminomethylideneazanide;bis(pentadecylazanium) has a molecular weight of 538.95 g/mol, XLogP of 9.26, 26 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iminomethylideneazanide;bis(pentadecylazanium) is sourced from PubChem (CID 156625536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).