triethyl-(iminomethylideneamino)azanium

C7H16N3+ — CID 12731888

IUPACtriethyl-(iminomethylideneamino)azanium
SMILESCC[N+](CC)(CC)N=C=N
InChIInChI=1S/C7H16N3/c1-4-10(5-2,6-3)9-7-8/h8H,4-6H2,1-3H3/q+1
InChIKeyGFSBQLMCCVAGME-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.53
Rot. Bonds4

About triethyl-(iminomethylideneamino)azanium

triethyl-(iminomethylideneamino)azanium (PubChem CID 12731888) has the molecular formula C7H16N3+ and a molecular weight of 142.23 g/mol. Its IUPAC name is triethyl-(iminomethylideneamino)azanium.

Molecular Properties

Compound Nametriethyl-(iminomethylideneamino)azanium
PubChem CID12731888
Molecular FormulaC7H16N3+
Molecular Weight142.23 g/mol
Exact Mass142.13
IUPAC Nametriethyl-(iminomethylideneamino)azanium
SMILESCC[N+](CC)(CC)N=C=N
InChIInChI=1S/C7H16N3/c1-4-10(5-2,6-3)9-7-8/h8H,4-6H2,1-3H3/q+1
InChIKeyGFSBQLMCCVAGME-UHFFFAOYSA-N
XLogP1.53
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-(iminomethylideneamino)azanium?
The IUPAC name of triethyl-(iminomethylideneamino)azanium (CID 12731888) is triethyl-(iminomethylideneamino)azanium.
What is the SMILES notation for triethyl-(iminomethylideneamino)azanium?
The canonical SMILES for triethyl-(iminomethylideneamino)azanium is CC[N+](CC)(CC)N=C=N.
What is the InChIKey of triethyl-(iminomethylideneamino)azanium?
The InChIKey is GFSBQLMCCVAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3/c1-4-10(5-2,6-3)9-7-8/h8H,4-6H2,1-3H3/q+1.
What are the key properties of triethyl-(iminomethylideneamino)azanium?
triethyl-(iminomethylideneamino)azanium has a molecular weight of 142.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(iminomethylideneamino)azanium is sourced from PubChem (CID 12731888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).