butan-2-yl-methoxy-dimethylazanium

C7H18NO+ — CID 90736856

IUPACbutan-2-yl-methoxy-dimethylazanium
SMILESCCC(C)[N+](C)(C)OC
InChIInChI=1S/C7H18NO/c1-6-7(2)8(3,4)9-5/h7H,6H2,1-5H3/q+1
InChIKeyRZIFFSJUNSMJOI-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.42
Rot. Bonds3

About butan-2-yl-methoxy-dimethylazanium

butan-2-yl-methoxy-dimethylazanium (PubChem CID 90736856) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is butan-2-yl-methoxy-dimethylazanium.

Molecular Properties

Compound Namebutan-2-yl-methoxy-dimethylazanium
PubChem CID90736856
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Namebutan-2-yl-methoxy-dimethylazanium
SMILESCCC(C)[N+](C)(C)OC
InChIInChI=1S/C7H18NO/c1-6-7(2)8(3,4)9-5/h7H,6H2,1-5H3/q+1
InChIKeyRZIFFSJUNSMJOI-UHFFFAOYSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[(2S)-butan-2-yl]-dimethylazanium
CID 139205982
methoxy-dimethyl-propan-2-ylazanium fluoride
CID 175254438
ethyl-dimethyl-propan-2-yloxyazanium
CID 175365440
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
methane;2-methoxybutane
CID 162124465
N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080
2-deuterio-2-methoxybutane
CID 59893079
1-methoxy-N,N,2-trimethylbutan-1-amine
CID 91572935
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
(4R)-3-ethyl-4-methylhexane
CID 59954491

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-methoxy-dimethylazanium?
The IUPAC name of butan-2-yl-methoxy-dimethylazanium (CID 90736856) is butan-2-yl-methoxy-dimethylazanium.
What is the SMILES notation for butan-2-yl-methoxy-dimethylazanium?
The canonical SMILES for butan-2-yl-methoxy-dimethylazanium is CCC(C)[N+](C)(C)OC.
What is the InChIKey of butan-2-yl-methoxy-dimethylazanium?
The InChIKey is RZIFFSJUNSMJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-6-7(2)8(3,4)9-5/h7H,6H2,1-5H3/q+1.
What are the key properties of butan-2-yl-methoxy-dimethylazanium?
butan-2-yl-methoxy-dimethylazanium has a molecular weight of 132.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-methoxy-dimethylazanium is sourced from PubChem (CID 90736856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).