trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium

C11H24N+ — CID 91034036

IUPACtrimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium
SMILESC=C(CCC)C(C)(C)[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-8-9-10(2)11(3,4)12(5,6)7/h2,8-9H2,1,3-7H3/q+1
InChIKeyGXIVEHFYFKYENC-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.83
Rot. Bonds4

About trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium

trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium (PubChem CID 91034036) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium
PubChem CID91034036
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Nametrimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium
SMILESC=C(CCC)C(C)(C)[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-8-9-10(2)11(3,4)12(5,6)7/h2,8-9H2,1,3-7H3/q+1
InChIKeyGXIVEHFYFKYENC-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-3-methylidenehexan-2-yl)azanium?
The IUPAC name of trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium (CID 91034036) is trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium.
What is the SMILES notation for trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium?
The canonical SMILES for trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium is C=C(CCC)C(C)(C)[N+](C)(C)C.
What is the InChIKey of trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium?
The InChIKey is GXIVEHFYFKYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-8-9-10(2)11(3,4)12(5,6)7/h2,8-9H2,1,3-7H3/q+1.
What are the key properties of trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium?
trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium has a molecular weight of 170.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-methyl-3-methylidenehexan-2-yl)azanium is sourced from PubChem (CID 91034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).