trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium

C10H22N2+2 — CID 129305110

IUPACtrimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium
SMILESC=C(C)/C=[N+](\C)CC[N+](C)(C)C
InChIInChI=1S/C10H22N2/c1-10(2)9-11(3)7-8-12(4,5)6/h9H,1,7-8H2,2-6H3/q+2/b11-9+
InChIKeyYZAWBWJYJWYUMT-PKNBQFBNSA-N
MW170.30 g/mol
LogP0.98
Rot. Bonds4

About trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium

trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium (PubChem CID 129305110) has the molecular formula C10H22N2+2 and a molecular weight of 170.30 g/mol. Its IUPAC name is trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium
PubChem CID129305110
Molecular FormulaC10H22N2+2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nametrimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium
SMILESC=C(C)/C=[N+](\C)CC[N+](C)(C)C
InChIInChI=1S/C10H22N2/c1-10(2)9-11(3)7-8-12(4,5)6/h9H,1,7-8H2,2-6H3/q+2/b11-9+
InChIKeyYZAWBWJYJWYUMT-PKNBQFBNSA-N
XLogP0.98
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium (CID 129305110) is trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium is C=C(C)/C=[N+](\C)CC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium?
The InChIKey is YZAWBWJYJWYUMT-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2)9-11(3)7-8-12(4,5)6/h9H,1,7-8H2,2-6H3/q+2/b11-9+.
What are the key properties of trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium?
trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium has a molecular weight of 170.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[methyl(2-methylprop-2-enylidene)azaniumyl]ethyl]azanium is sourced from PubChem (CID 129305110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).