trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium

C9H19N2+ — CID 123319874

IUPACtrimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium
SMILESC=C(C=CC)N(C)[N+](C)(C)C
InChIInChI=1S/C9H19N2/c1-7-8-9(2)10(3)11(4,5)6/h7-8H,2H2,1,3-6H3/q+1
InChIKeyABOSXVMFJVSQMH-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.63
Rot. Bonds3

About trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium

trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium (PubChem CID 123319874) has the molecular formula C9H19N2+ and a molecular weight of 155.26 g/mol. Its IUPAC name is trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium.

Molecular Properties

Compound Nametrimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium
PubChem CID123319874
Molecular FormulaC9H19N2+
Molecular Weight155.26 g/mol
Exact Mass155.15
IUPAC Nametrimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium
SMILESC=C(C=CC)N(C)[N+](C)(C)C
InChIInChI=1S/C9H19N2/c1-7-8-9(2)10(3)11(4,5)6/h7-8H,2H2,1,3-6H3/q+1
InChIKeyABOSXVMFJVSQMH-UHFFFAOYSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2,6-Bis(dimethylamino)phenyl] lithium
CID 11116474
Lithium 1,1,2-trimethyl-2-phenylhydrazine
CID 134975996
Lithium 1,1,2-trimethyl-2-phenylhydrazine
CID 138984283
N,N-diethylpenta-1,3-dien-3-amine
CID 6713340
N,N-dimethylpenta-1,3-dien-3-amine
CID 6713359
(3E)-N,N-diethylpenta-1,3-dien-3-amine
CID 22149544
N,N-dimethylhexa-2,4-dien-3-amine
CID 53824624
N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine
CID 57293908
[(3E)-hexa-1,3,5-trien-3-yl]-trimethylazanium
CID 57684182
(2E,4Z)-N,N-diethylhexa-2,4-dien-3-amine
CID 57711765
(3E,5E)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine
CID 57762759
(3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine
CID 59083522

Frequently Asked Questions

What is the IUPAC name of trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium?
The IUPAC name of trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium (CID 123319874) is trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium.
What is the SMILES notation for trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium?
The canonical SMILES for trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium is C=C(C=CC)N(C)[N+](C)(C)C.
What is the InChIKey of trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium?
The InChIKey is ABOSXVMFJVSQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2/c1-7-8-9(2)10(3)11(4,5)6/h7-8H,2H2,1,3-6H3/q+1.
What are the key properties of trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium?
trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium has a molecular weight of 155.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[methyl(penta-1,3-dien-2-yl)amino]azanium is sourced from PubChem (CID 123319874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).