2-formamidooxyethyl(trimethyl)azanium

C6H15N2O2+ — CID 90374698

IUPAC2-formamidooxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCONC=O
InChIInChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-7-6-9/h6H,4-5H2,1-3H3/p+1
InChIKeyRDYVEFYNWGHOHQ-UHFFFAOYSA-O
MW147.20 g/mol
LogP-0.63
Rot. Bonds5

About 2-formamidooxyethyl(trimethyl)azanium

2-formamidooxyethyl(trimethyl)azanium (PubChem CID 90374698) has the molecular formula C6H15N2O2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is 2-formamidooxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-formamidooxyethyl(trimethyl)azanium
PubChem CID90374698
Molecular FormulaC6H15N2O2+
Molecular Weight147.20 g/mol
Exact Mass147.11
IUPAC Name2-formamidooxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCONC=O
InChIInChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-7-6-9/h6H,4-5H2,1-3H3/p+1
InChIKeyRDYVEFYNWGHOHQ-UHFFFAOYSA-O
XLogP-0.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-formamidooxyethyl(trimethyl)azanium?
The IUPAC name of 2-formamidooxyethyl(trimethyl)azanium (CID 90374698) is 2-formamidooxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-formamidooxyethyl(trimethyl)azanium?
The canonical SMILES for 2-formamidooxyethyl(trimethyl)azanium is C[N+](C)(C)CCONC=O.
What is the InChIKey of 2-formamidooxyethyl(trimethyl)azanium?
The InChIKey is RDYVEFYNWGHOHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-7-6-9/h6H,4-5H2,1-3H3/p+1.
What are the key properties of 2-formamidooxyethyl(trimethyl)azanium?
2-formamidooxyethyl(trimethyl)azanium has a molecular weight of 147.20 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidooxyethyl(trimethyl)azanium is sourced from PubChem (CID 90374698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).