triethyl-(2-methyl-3-oxopropyl)azanium

C10H22NO+ — CID 89178971

IUPACtriethyl-(2-methyl-3-oxopropyl)azanium
SMILESCC[N+](CC)(CC)CC(C)C=O
InChIInChI=1S/C10H22NO/c1-5-11(6-2,7-3)8-10(4)9-12/h9-10H,5-8H2,1-4H3/q+1
InChIKeyMHDVRHAANQOIPB-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.70
Rot. Bonds6

About triethyl-(2-methyl-3-oxopropyl)azanium

triethyl-(2-methyl-3-oxopropyl)azanium (PubChem CID 89178971) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is triethyl-(2-methyl-3-oxopropyl)azanium.

Molecular Properties

Compound Nametriethyl-(2-methyl-3-oxopropyl)azanium
PubChem CID89178971
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Nametriethyl-(2-methyl-3-oxopropyl)azanium
SMILESCC[N+](CC)(CC)CC(C)C=O
InChIInChI=1S/C10H22NO/c1-5-11(6-2,7-3)8-10(4)9-12/h9-10H,5-8H2,1-4H3/q+1
InChIKeyMHDVRHAANQOIPB-UHFFFAOYSA-N
XLogP1.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-(2-methyl-3-oxopropyl)azanium?
The IUPAC name of triethyl-(2-methyl-3-oxopropyl)azanium (CID 89178971) is triethyl-(2-methyl-3-oxopropyl)azanium.
What is the SMILES notation for triethyl-(2-methyl-3-oxopropyl)azanium?
The canonical SMILES for triethyl-(2-methyl-3-oxopropyl)azanium is CC[N+](CC)(CC)CC(C)C=O.
What is the InChIKey of triethyl-(2-methyl-3-oxopropyl)azanium?
The InChIKey is MHDVRHAANQOIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-5-11(6-2,7-3)8-10(4)9-12/h9-10H,5-8H2,1-4H3/q+1.
What are the key properties of triethyl-(2-methyl-3-oxopropyl)azanium?
triethyl-(2-methyl-3-oxopropyl)azanium has a molecular weight of 172.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-methyl-3-oxopropyl)azanium is sourced from PubChem (CID 89178971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).