(2-dodecoxy-2-oxoethyl)azanium

C14H30NO2+ — CID 123138381

IUPAC(2-dodecoxy-2-oxoethyl)azanium
SMILESCCCCCCCCCCCCOC(=O)C[NH3+]
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13,15H2,1H3/p+1
InChIKeyYVZRXRJDBYHNMK-UHFFFAOYSA-O
MW244.40 g/mol
LogP2.69
Rot. Bonds12

About (2-dodecoxy-2-oxoethyl)azanium

(2-dodecoxy-2-oxoethyl)azanium (PubChem CID 123138381) has the molecular formula C14H30NO2+ and a molecular weight of 244.40 g/mol. Its IUPAC name is (2-dodecoxy-2-oxoethyl)azanium.

Molecular Properties

Compound Name(2-dodecoxy-2-oxoethyl)azanium
PubChem CID123138381
Molecular FormulaC14H30NO2+
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name(2-dodecoxy-2-oxoethyl)azanium
SMILESCCCCCCCCCCCCOC(=O)C[NH3+]
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13,15H2,1H3/p+1
InChIKeyYVZRXRJDBYHNMK-UHFFFAOYSA-O
XLogP2.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octyl (2S)-2-aminobutanoate;hydrochloride
CID 71459087
octyl (2R)-2-aminobutanoate;hydrochloride
CID 71457229
Tridecyl 2-aminoacetate
CID 60167995
Octyl 2-aminoacetate Hydrochloride
CID 2759252
2-Aminoethyl dodecanoate
CID 414633
Dodecyl 2-aminoacetate
CID 6452634
Hexadecyl 2-aminoacetate
CID 11382094
Tetradecyl 2-aminoacetate
CID 12771382
Dodecyl 3-aminopropanoate
CID 21477549
2-Aminoethyl decanoate
CID 44239119
Pentadecyl 2-aminoacetate
CID 70690141
2-(Octyloxy)-2-oxoethan-1-aminium chloride
CID 102565400

Frequently Asked Questions

What is the IUPAC name of (2-dodecoxy-2-oxoethyl)azanium?
The IUPAC name of (2-dodecoxy-2-oxoethyl)azanium (CID 123138381) is (2-dodecoxy-2-oxoethyl)azanium.
What is the SMILES notation for (2-dodecoxy-2-oxoethyl)azanium?
The canonical SMILES for (2-dodecoxy-2-oxoethyl)azanium is CCCCCCCCCCCCOC(=O)C[NH3+].
What is the InChIKey of (2-dodecoxy-2-oxoethyl)azanium?
The InChIKey is YVZRXRJDBYHNMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13,15H2,1H3/p+1.
What are the key properties of (2-dodecoxy-2-oxoethyl)azanium?
(2-dodecoxy-2-oxoethyl)azanium has a molecular weight of 244.40 g/mol, XLogP of 2.69, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecoxy-2-oxoethyl)azanium is sourced from PubChem (CID 123138381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).