trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium

C12H28NO+ — CID 145272154

IUPACtrimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium
SMILESCC(C)(C)OCCC(C)(C)[N+](C)(C)C
InChIInChI=1S/C12H28NO/c1-11(2,3)14-10-9-12(4,5)13(6,7)8/h9-10H2,1-8H3/q+1
InChIKeyWTDNMJPTLZTLAM-UHFFFAOYSA-N
MW202.36 g/mol
LogP2.68
Rot. Bonds4

About trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium

trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium (PubChem CID 145272154) has the molecular formula C12H28NO+ and a molecular weight of 202.36 g/mol. Its IUPAC name is trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium
PubChem CID145272154
Molecular FormulaC12H28NO+
Molecular Weight202.36 g/mol
Exact Mass202.22
IUPAC Nametrimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium
SMILESCC(C)(C)OCCC(C)(C)[N+](C)(C)C
InChIInChI=1S/C12H28NO/c1-11(2,3)14-10-9-12(4,5)13(6,7)8/h9-10H2,1-8H3/q+1
InChIKeyWTDNMJPTLZTLAM-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium?
The IUPAC name of trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium (CID 145272154) is trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium.
What is the SMILES notation for trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium?
The canonical SMILES for trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium is CC(C)(C)OCCC(C)(C)[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium?
The InChIKey is WTDNMJPTLZTLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO/c1-11(2,3)14-10-9-12(4,5)13(6,7)8/h9-10H2,1-8H3/q+1.
What are the key properties of trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium?
trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium has a molecular weight of 202.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium is sourced from PubChem (CID 145272154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).