2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium

C10H22N3+ — CID 88544386

IUPAC2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium
SMILESC=C/N=C(\C)N(C)CC[N+](C)(C)C
InChIInChI=1S/C10H22N3/c1-7-11-10(2)12(3)8-9-13(4,5)6/h7H,1,8-9H2,2-6H3/q+1/b11-10+
InChIKeyKJUOSJIQMVWQSO-ZHACJKMWSA-N
MW184.31 g/mol
LogP1.19
Rot. Bonds4

About 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium

2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium (PubChem CID 88544386) has the molecular formula C10H22N3+ and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium
PubChem CID88544386
Molecular FormulaC10H22N3+
Molecular Weight184.31 g/mol
Exact Mass184.18
IUPAC Name2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium
SMILESC=C/N=C(\C)N(C)CC[N+](C)(C)C
InChIInChI=1S/C10H22N3/c1-7-11-10(2)12(3)8-9-13(4,5)6/h7H,1,8-9H2,2-6H3/q+1/b11-10+
InChIKeyKJUOSJIQMVWQSO-ZHACJKMWSA-N
XLogP1.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.19
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 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium?
The IUPAC name of 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium (CID 88544386) is 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium?
The canonical SMILES for 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium is C=C/N=C(\C)N(C)CC[N+](C)(C)C.
What is the InChIKey of 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium?
The InChIKey is KJUOSJIQMVWQSO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N3/c1-7-11-10(2)12(3)8-9-13(4,5)6/h7H,1,8-9H2,2-6H3/q+1/b11-10+.
What are the key properties of 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium?
2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium has a molecular weight of 184.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium is sourced from PubChem (CID 88544386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).