trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride

C7H18ClN3 — CID 23166293

IUPACtrimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride
SMILESC/N=C(\N(C)C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H18N3.ClH/c1-8-7(9(2)3)10(4,5)6;/h1-6H3;1H/q+1;/p-1/b8-7+;
InChIKeyCEICIFKIZAWDRK-USRGLUTNSA-M
MW179.69 g/mol
LogP-2.76
Rot. Bonds

About trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride

trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride (PubChem CID 23166293) has the molecular formula C7H18ClN3 and a molecular weight of 179.69 g/mol. Its IUPAC name is trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride
PubChem CID23166293
Molecular FormulaC7H18ClN3
Molecular Weight179.69 g/mol
Exact Mass179.12
IUPAC Nametrimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride
SMILESC/N=C(\N(C)C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H18N3.ClH/c1-8-7(9(2)3)10(4,5)6;/h1-6H3;1H/q+1;/p-1/b8-7+;
InChIKeyCEICIFKIZAWDRK-USRGLUTNSA-M
XLogP-2.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-2.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride?
The IUPAC name of trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride (CID 23166293) is trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride.
What is the SMILES notation for trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride?
The canonical SMILES for trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride is C/N=C(\N(C)C)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride?
The InChIKey is CEICIFKIZAWDRK-USRGLUTNSA-M. The full InChI is InChI=1S/C7H18N3.ClH/c1-8-7(9(2)3)10(4,5)6;/h1-6H3;1H/q+1;/p-1/b8-7+;.
What are the key properties of trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride?
trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride has a molecular weight of 179.69 g/mol, XLogP of -2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium chloride is sourced from PubChem (CID 23166293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).