iminomethylideneazanide;tetraethylazanium

C9H21N3 — CID 139699885

IUPACiminomethylideneazanide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.[N-]=C=N
InChIInChI=1S/C8H20N.CHN2/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;2H/q+1;-1
InChIKeyBEONYRJIOSKZAW-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.19
Rot. Bonds4

About iminomethylideneazanide;tetraethylazanium

iminomethylideneazanide;tetraethylazanium (PubChem CID 139699885) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is iminomethylideneazanide;tetraethylazanium.

Molecular Properties

Compound Nameiminomethylideneazanide;tetraethylazanium
PubChem CID139699885
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Nameiminomethylideneazanide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.[N-]=C=N
InChIInChI=1S/C8H20N.CHN2/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;2H/q+1;-1
InChIKeyBEONYRJIOSKZAW-UHFFFAOYSA-N
XLogP2.19
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iminomethylideneazanide;tetraethylazanium?
The IUPAC name of iminomethylideneazanide;tetraethylazanium (CID 139699885) is iminomethylideneazanide;tetraethylazanium.
What is the SMILES notation for iminomethylideneazanide;tetraethylazanium?
The canonical SMILES for iminomethylideneazanide;tetraethylazanium is CC[N+](CC)(CC)CC.[N-]=C=N.
What is the InChIKey of iminomethylideneazanide;tetraethylazanium?
The InChIKey is BEONYRJIOSKZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.CHN2/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;2H/q+1;-1.
What are the key properties of iminomethylideneazanide;tetraethylazanium?
iminomethylideneazanide;tetraethylazanium has a molecular weight of 171.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iminomethylideneazanide;tetraethylazanium is sourced from PubChem (CID 139699885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).