ethyl-[3-(methoxyamino)propyl]-dimethylazanium

C8H21N2O+ — CID 90315811

IUPACethyl-[3-(methoxyamino)propyl]-dimethylazanium
SMILESCC[N+](C)(C)CCCNOC
InChIInChI=1S/C8H21N2O/c1-5-10(2,3)8-6-7-9-11-4/h9H,5-8H2,1-4H3/q+1
InChIKeyOBLPHOYEECOVIU-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.62
Rot. Bonds6

About ethyl-[3-(methoxyamino)propyl]-dimethylazanium

ethyl-[3-(methoxyamino)propyl]-dimethylazanium (PubChem CID 90315811) has the molecular formula C8H21N2O+ and a molecular weight of 161.27 g/mol. Its IUPAC name is ethyl-[3-(methoxyamino)propyl]-dimethylazanium.

Molecular Properties

Compound Nameethyl-[3-(methoxyamino)propyl]-dimethylazanium
PubChem CID90315811
Molecular FormulaC8H21N2O+
Molecular Weight161.27 g/mol
Exact Mass161.16
IUPAC Nameethyl-[3-(methoxyamino)propyl]-dimethylazanium
SMILESCC[N+](C)(C)CCCNOC
InChIInChI=1S/C8H21N2O/c1-5-10(2,3)8-6-7-9-11-4/h9H,5-8H2,1-4H3/q+1
InChIKeyOBLPHOYEECOVIU-UHFFFAOYSA-N
XLogP0.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-[3-(methoxyamino)propyl]-dimethylazanium?
The IUPAC name of ethyl-[3-(methoxyamino)propyl]-dimethylazanium (CID 90315811) is ethyl-[3-(methoxyamino)propyl]-dimethylazanium.
What is the SMILES notation for ethyl-[3-(methoxyamino)propyl]-dimethylazanium?
The canonical SMILES for ethyl-[3-(methoxyamino)propyl]-dimethylazanium is CC[N+](C)(C)CCCNOC.
What is the InChIKey of ethyl-[3-(methoxyamino)propyl]-dimethylazanium?
The InChIKey is OBLPHOYEECOVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2O/c1-5-10(2,3)8-6-7-9-11-4/h9H,5-8H2,1-4H3/q+1.
What are the key properties of ethyl-[3-(methoxyamino)propyl]-dimethylazanium?
ethyl-[3-(methoxyamino)propyl]-dimethylazanium has a molecular weight of 161.27 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-(methoxyamino)propyl]-dimethylazanium is sourced from PubChem (CID 90315811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).