nonakis(diaminomethylideneazanium);hydrochloride

C9H55ClN27+9 — CID 131728604

IUPACnonakis(diaminomethylideneazanium);hydrochloride
SMILESCl.NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+]
InChIInChI=1S/9CH5N3.ClH/c9*2-1(3)4;/h9*(H5,2,3,4);1H/p+9
InChIKeyCADUDKYEOHUOOW-UHFFFAOYSA-W
MW577.18 g/mol
LogP-26.41
Rot. Bonds

About nonakis(diaminomethylideneazanium);hydrochloride

nonakis(diaminomethylideneazanium);hydrochloride (PubChem CID 131728604) has the molecular formula C9H55ClN27+9 and a molecular weight of 577.18 g/mol. Its IUPAC name is nonakis(diaminomethylideneazanium);hydrochloride.

Molecular Properties

Compound Namenonakis(diaminomethylideneazanium);hydrochloride
PubChem CID131728604
Molecular FormulaC9H55ClN27+9
Molecular Weight577.18 g/mol
Exact Mass576.48
IUPAC Namenonakis(diaminomethylideneazanium);hydrochloride
SMILESCl.NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+]
InChIInChI=1S/9CH5N3.ClH/c9*2-1(3)4;/h9*(H5,2,3,4);1H/p+9
InChIKeyCADUDKYEOHUOOW-UHFFFAOYSA-W
XLogP-26.41
TPSA698.67 Ų
H-Bond Donors27
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.18
LogP ≤ 5-26.41
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diaminomethylideneazanium;tris(guanidine);hydron
CID 161072040
bis(diaminomethylideneazanium) diiodate
CID 139046601
potassium;diaminomethylideneazanium;thiocyanate;hydrochloride
CID 135837529
prop-1-ene-1,1-diamine;dihydrochloride
CID 141360869
aluminum;diaminomethylideneazanium;sulfate
CID 135853176
tris(ethene-1,1,2,2-tetramine);tetrahydrochloride
CID 18756960
diaminomethylideneazanium;2,2,2-trifluoroacetic acid
CID 159933368
guanidine;trihydrochloride
CID 23165990
[amino(methoxy)methylidene]azanium
CID 12946830
(1-amino-2-methylpropylidene)azanium
CID 6346755
dodecakis(diaminomethylideneazanium);2,4,6,8,10,12,14,16,18,20,22,24-dodecaoxido-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5,14λ5,16λ5,18λ5,20λ5,22λ5,24λ5-dodecaphosphacyclotetracosane 2,4,6,8,10,12,14,16,18,20,22,24-dodecaoxide;hexahydrate
CID 139036493
[amino(methylsulfanyl)methylidene]azanium iodide
CID 14325100

Frequently Asked Questions

What is the IUPAC name of nonakis(diaminomethylideneazanium);hydrochloride?
The IUPAC name of nonakis(diaminomethylideneazanium);hydrochloride (CID 131728604) is nonakis(diaminomethylideneazanium);hydrochloride.
What is the SMILES notation for nonakis(diaminomethylideneazanium);hydrochloride?
The canonical SMILES for nonakis(diaminomethylideneazanium);hydrochloride is Cl.NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].
What is the InChIKey of nonakis(diaminomethylideneazanium);hydrochloride?
The InChIKey is CADUDKYEOHUOOW-UHFFFAOYSA-W. The full InChI is InChI=1S/9CH5N3.ClH/c9*2-1(3)4;/h9*(H5,2,3,4);1H/p+9.
What are the key properties of nonakis(diaminomethylideneazanium);hydrochloride?
nonakis(diaminomethylideneazanium);hydrochloride has a molecular weight of 577.18 g/mol, XLogP of -26.41, 0 rotatable bonds, 27 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(diaminomethylideneazanium);hydrochloride is sourced from PubChem (CID 131728604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).