trimethyl-[3-(methylideneamino)oxypropyl]azanium

C7H17N2O+ — CID 170430877

IUPACtrimethyl-[3-(methylideneamino)oxypropyl]azanium
SMILESC=NOCCC[N+](C)(C)C
InChIInChI=1S/C7H17N2O/c1-8-10-7-5-6-9(2,3)4/h1,5-7H2,2-4H3/q+1
InChIKeyRGWLJVNAEPEVEW-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.71
Rot. Bonds5

About trimethyl-[3-(methylideneamino)oxypropyl]azanium

trimethyl-[3-(methylideneamino)oxypropyl]azanium (PubChem CID 170430877) has the molecular formula C7H17N2O+ and a molecular weight of 145.23 g/mol. Its IUPAC name is trimethyl-[3-(methylideneamino)oxypropyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-(methylideneamino)oxypropyl]azanium
PubChem CID170430877
Molecular FormulaC7H17N2O+
Molecular Weight145.23 g/mol
Exact Mass145.13
IUPAC Nametrimethyl-[3-(methylideneamino)oxypropyl]azanium
SMILESC=NOCCC[N+](C)(C)C
InChIInChI=1S/C7H17N2O/c1-8-10-7-5-6-9(2,3)4/h1,5-7H2,2-4H3/q+1
InChIKeyRGWLJVNAEPEVEW-UHFFFAOYSA-N
XLogP0.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methane;3-methoxypropyl(trimethyl)azanium
CID 159181056
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide
CID 16109
trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
CID 88729862
3-(2-hydroxyprop-2-enylperoxy)propyl-trimethylazanium chloride
CID 174370633
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride
CID 172695546
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(methylideneamino)oxypropyl]azanium?
The IUPAC name of trimethyl-[3-(methylideneamino)oxypropyl]azanium (CID 170430877) is trimethyl-[3-(methylideneamino)oxypropyl]azanium.
What is the SMILES notation for trimethyl-[3-(methylideneamino)oxypropyl]azanium?
The canonical SMILES for trimethyl-[3-(methylideneamino)oxypropyl]azanium is C=NOCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-(methylideneamino)oxypropyl]azanium?
The InChIKey is RGWLJVNAEPEVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2O/c1-8-10-7-5-6-9(2,3)4/h1,5-7H2,2-4H3/q+1.
What are the key properties of trimethyl-[3-(methylideneamino)oxypropyl]azanium?
trimethyl-[3-(methylideneamino)oxypropyl]azanium has a molecular weight of 145.23 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(methylideneamino)oxypropyl]azanium is sourced from PubChem (CID 170430877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).