bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium

C15H30N3+ — CID 102055303

IUPACbis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium
SMILESC=C(C)CN(CC)C(N(CC)CC(=C)C)=[N+](C)C
InChIInChI=1S/C15H30N3/c1-9-17(11-13(3)4)15(16(7)8)18(10-2)12-14(5)6/h3,5,9-12H2,1-2,4,6-8H3/q+1
InChIKeyNSRPYZQWXOFDFY-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.41
Rot. Bonds6

About bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium

bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium (PubChem CID 102055303) has the molecular formula C15H30N3+ and a molecular weight of 252.43 g/mol. Its IUPAC name is bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium.

Molecular Properties

Compound Namebis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium
PubChem CID102055303
Molecular FormulaC15H30N3+
Molecular Weight252.43 g/mol
Exact Mass252.24
IUPAC Namebis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium
SMILESC=C(C)CN(CC)C(N(CC)CC(=C)C)=[N+](C)C
InChIInChI=1S/C15H30N3/c1-9-17(11-13(3)4)15(16(7)8)18(10-2)12-14(5)6/h3,5,9-12H2,1-2,4,6-8H3/q+1
InChIKeyNSRPYZQWXOFDFY-UHFFFAOYSA-N
XLogP2.41
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,2-Diallyl-1,1,3,3-tetraethylguanidinium chloride
CID 13127897
2,2-Diallyl-1,1,3,3-tetramethylguanidinium chloride
CID 129783361
(N,N-dimethyl-N'-prop-2-enylcarbamimidoyl)-tris(prop-2-enyl)azanium
CID 88079730
dimethyl-prop-2-enyl-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium
CID 88079732
Bis[bis(prop-2-enyl)amino]methylidene-dimethylazanium
CID 88079733
(N,N-dimethyl-N'-prop-2-enylcarbamimidoyl)-tris(prop-2-enyl)azanium chloride
CID 88079886
dimethyl-prop-2-enyl-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride
CID 88079887
1,1,2,3-Tetramethyl-3-prop-2-enylguanidine
CID 117653973
1-[(2S)-butan-2-yl]-1-ethyl-3,3-dimethyl-2-(2-methylprop-1-enyl)guanidine;ethane
CID 144528553
N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide
CID 166786295
Bis(diethylamino)methylidene-bis(prop-2-enyl)azanium
CID 13127898
[(Dipropylamino)-[prop-2-enyl(propyl)amino]methylidene]-dimethylazanium
CID 101522955

Frequently Asked Questions

What is the IUPAC name of bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium?
The IUPAC name of bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium (CID 102055303) is bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium.
What is the SMILES notation for bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium?
The canonical SMILES for bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium is C=C(C)CN(CC)C(N(CC)CC(=C)C)=[N+](C)C.
What is the InChIKey of bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium?
The InChIKey is NSRPYZQWXOFDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N3/c1-9-17(11-13(3)4)15(16(7)8)18(10-2)12-14(5)6/h3,5,9-12H2,1-2,4,6-8H3/q+1.
What are the key properties of bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium?
bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium has a molecular weight of 252.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium is sourced from PubChem (CID 102055303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).