ethyl-dimethyl-propan-2-yloxyazanium

C7H18NO+ — CID 175365440

IUPACethyl-dimethyl-propan-2-yloxyazanium
SMILESCC[N+](C)(C)OC(C)C
InChIInChI=1S/C7H18NO/c1-6-8(4,5)9-7(2)3/h7H,6H2,1-5H3/q+1
InChIKeyYJMCFCDRECRRJC-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.42
Rot. Bonds3

About ethyl-dimethyl-propan-2-yloxyazanium

ethyl-dimethyl-propan-2-yloxyazanium (PubChem CID 175365440) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is ethyl-dimethyl-propan-2-yloxyazanium.

Molecular Properties

Compound Nameethyl-dimethyl-propan-2-yloxyazanium
PubChem CID175365440
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Nameethyl-dimethyl-propan-2-yloxyazanium
SMILESCC[N+](C)(C)OC(C)C
InChIInChI=1S/C7H18NO/c1-6-8(4,5)9-7(2)3/h7H,6H2,1-5H3/q+1
InChIKeyYJMCFCDRECRRJC-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

ethyl-dimethyl-(2-methylpropoxy)azanium
CID 163441581
3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane
CID 141282649
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
bis[(2S)-butan-2-yl]-dimethylazanium
CID 139205982
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
butan-2-yl-methoxy-dimethylazanium
CID 90736856
2-butan-2-ylsulfanylselanylsulfanylbutane
CID 15832557
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
acetyloxy-ethyl-dimethylazanium
CID 147551932
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-propan-2-yloxyazanium?
The IUPAC name of ethyl-dimethyl-propan-2-yloxyazanium (CID 175365440) is ethyl-dimethyl-propan-2-yloxyazanium.
What is the SMILES notation for ethyl-dimethyl-propan-2-yloxyazanium?
The canonical SMILES for ethyl-dimethyl-propan-2-yloxyazanium is CC[N+](C)(C)OC(C)C.
What is the InChIKey of ethyl-dimethyl-propan-2-yloxyazanium?
The InChIKey is YJMCFCDRECRRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-6-8(4,5)9-7(2)3/h7H,6H2,1-5H3/q+1.
What are the key properties of ethyl-dimethyl-propan-2-yloxyazanium?
ethyl-dimethyl-propan-2-yloxyazanium 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 ethyl-dimethyl-propan-2-yloxyazanium is sourced from PubChem (CID 175365440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).