trimethyl-(N'-methylcarbamimidoyl)azanium

C5H14N3+ — CID 18921325

IUPACtrimethyl-(N'-methylcarbamimidoyl)azanium
SMILESC/N=C(\N)[N+](C)(C)C
InChIInChI=1S/C5H14N3/c1-7-5(6)8(2,3)4/h1-4H3,(H2,6,7)/q+1
InChIKeyPDKSHHDQDDKILE-UHFFFAOYSA-N
MW116.19 g/mol
LogP-0.36
Rot. Bonds

About trimethyl-(N'-methylcarbamimidoyl)azanium

trimethyl-(N'-methylcarbamimidoyl)azanium (PubChem CID 18921325) has the molecular formula C5H14N3+ and a molecular weight of 116.19 g/mol. Its IUPAC name is trimethyl-(N'-methylcarbamimidoyl)azanium.

Molecular Properties

Compound Nametrimethyl-(N'-methylcarbamimidoyl)azanium
PubChem CID18921325
Molecular FormulaC5H14N3+
Molecular Weight116.19 g/mol
Exact Mass116.12
IUPAC Nametrimethyl-(N'-methylcarbamimidoyl)azanium
SMILESC/N=C(\N)[N+](C)(C)C
InChIInChI=1S/C5H14N3/c1-7-5(6)8(2,3)4/h1-4H3,(H2,6,7)/q+1
InChIKeyPDKSHHDQDDKILE-UHFFFAOYSA-N
XLogP-0.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
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'-methylcarbamimidoyl)azanium?
The IUPAC name of trimethyl-(N'-methylcarbamimidoyl)azanium (CID 18921325) is trimethyl-(N'-methylcarbamimidoyl)azanium.
What is the SMILES notation for trimethyl-(N'-methylcarbamimidoyl)azanium?
The canonical SMILES for trimethyl-(N'-methylcarbamimidoyl)azanium is C/N=C(\N)[N+](C)(C)C.
What is the InChIKey of trimethyl-(N'-methylcarbamimidoyl)azanium?
The InChIKey is PDKSHHDQDDKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N3/c1-7-5(6)8(2,3)4/h1-4H3,(H2,6,7)/q+1.
What are the key properties of trimethyl-(N'-methylcarbamimidoyl)azanium?
trimethyl-(N'-methylcarbamimidoyl)azanium has a molecular weight of 116.19 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(N'-methylcarbamimidoyl)azanium is sourced from PubChem (CID 18921325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).