2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium

C10H26N4+2 — CID 139048098

IUPAC2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium
SMILESCN(C)C(NCC[N+](C)(C)C)=[N+](C)C
InChIInChI=1S/C10H25N4/c1-12(2)10(13(3)4)11-8-9-14(5,6)7/h8-9H2,1-7H3/q+1/p+1
InChIKeyPDELNHMERBMXSY-UHFFFAOYSA-O
MW202.35 g/mol
LogP-0.53
Rot. Bonds3

About 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium

2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium (PubChem CID 139048098) has the molecular formula C10H26N4+2 and a molecular weight of 202.35 g/mol. Its IUPAC name is 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium
PubChem CID139048098
Molecular FormulaC10H26N4+2
Molecular Weight202.35 g/mol
Exact Mass202.21
IUPAC Name2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium
SMILESCN(C)C(NCC[N+](C)(C)C)=[N+](C)C
InChIInChI=1S/C10H25N4/c1-12(2)10(13(3)4)11-8-9-14(5,6)7/h8-9H2,1-7H3/q+1/p+1
InChIKeyPDELNHMERBMXSY-UHFFFAOYSA-O
XLogP-0.53
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis([dimethylamino-[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]propylamino]methylidene]-dimethylazanium);tetrabromide
CID 139059817
[dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium
CID 20688133
3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]propyl-trimethylazanium;bis(propan-2-one);bis(tetraphenylboranuide)
CID 139085336
[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate
CID 131729405
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
CID 6434679
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium diiodide
CID 6434678
trimethyl-[2-(methylcarbamoylamino)ethyl]azanium
CID 13379058
2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
CID 28816307
[dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium
CID 140927163
trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium
CID 20759368
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
[dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate
CID 155716428

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium?
The IUPAC name of 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium (CID 139048098) is 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium is CN(C)C(NCC[N+](C)(C)C)=[N+](C)C.
What is the InChIKey of 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium?
The InChIKey is PDELNHMERBMXSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H25N4/c1-12(2)10(13(3)4)11-8-9-14(5,6)7/h8-9H2,1-7H3/q+1/p+1.
What are the key properties of 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium?
2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium has a molecular weight of 202.35 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethylamino(dimethylazaniumylidene)methyl]amino]ethyl-trimethylazanium is sourced from PubChem (CID 139048098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).