5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide

C11H28I2N4 — CID 138397177

IUPAC5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide
SMILESCC[N+](C)(CC)CCCCCN=C(N)N.I.[I-]
InChIInChI=1S/C11H27N4.2HI/c1-4-15(3,5-2)10-8-6-7-9-14-11(12)13;;/h4-10H2,1-3H3,(H4,12,13,14);2*1H/q+1;;/p-1
InChIKeyGKJSQWBAKWJJSV-UHFFFAOYSA-M
MW470.18 g/mol
LogP-1.46
Rot. Bonds8

About 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide

5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide (PubChem CID 138397177) has the molecular formula C11H28I2N4 and a molecular weight of 470.18 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide
PubChem CID138397177
Molecular FormulaC11H28I2N4
Molecular Weight470.18 g/mol
Exact Mass470.04
IUPAC Name5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide
SMILESCC[N+](C)(CC)CCCCCN=C(N)N.I.[I-]
InChIInChI=1S/C11H27N4.2HI/c1-4-15(3,5-2)10-8-6-7-9-14-11(12)13;;/h4-10H2,1-3H3,(H4,12,13,14);2*1H/q+1;;/p-1
InChIKeyGKJSQWBAKWJJSV-UHFFFAOYSA-M
XLogP-1.46
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-(diaminomethylideneamino)propyl-diethyl-methylazanium;iodide;hydroiodide
CID 138397463
2-(diaminomethylideneamino)ethyl-methyl-di(tetradecyl)azanium
CID 11273820
2-(diaminomethylideneamino)ethyl-dihexadecyl-methylazanium chloride
CID 87122542
2-(6-methylsulfanylhexyl)guanidine
CID 59806974
dodecyl-diethyl-methylazanium
CID 14494908
docosyl-diethyl-methylazanium chloride
CID 87975854
oxalic acid;2-tetradecylguanidine
CID 88685065
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
ethyl-methyl-di(undecyl)azanium
CID 156729684
2-(4-aminobutyl)guanidine
CID 22560045
2-(6-oxohenicosyl)guanidine
CID 163454706
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide?
The IUPAC name of 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide (CID 138397177) is 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide.
What is the SMILES notation for 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide?
The canonical SMILES for 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide is CC[N+](C)(CC)CCCCCN=C(N)N.I.[I-].
What is the InChIKey of 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide?
The InChIKey is GKJSQWBAKWJJSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H27N4.2HI/c1-4-15(3,5-2)10-8-6-7-9-14-11(12)13;;/h4-10H2,1-3H3,(H4,12,13,14);2*1H/q+1;;/p-1.
What are the key properties of 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide?
5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide has a molecular weight of 470.18 g/mol, XLogP of -1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)pentyl-diethyl-methylazanium;iodide;hydroiodide is sourced from PubChem (CID 138397177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).