trimethyl-[(3-propyloxiran-2-yl)methyl]azanium

C9H20NO+ — CID 22750416

IUPACtrimethyl-[(3-propyloxiran-2-yl)methyl]azanium
SMILESCCCC1OC1C[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-5-6-8-9(11-8)7-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1
InChIKeyQXWXLCGJASKZQB-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.26
Rot. Bonds4

About trimethyl-[(3-propyloxiran-2-yl)methyl]azanium

trimethyl-[(3-propyloxiran-2-yl)methyl]azanium (PubChem CID 22750416) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is trimethyl-[(3-propyloxiran-2-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(3-propyloxiran-2-yl)methyl]azanium
PubChem CID22750416
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nametrimethyl-[(3-propyloxiran-2-yl)methyl]azanium
SMILESCCCC1OC1C[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-5-6-8-9(11-8)7-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1
InChIKeyQXWXLCGJASKZQB-UHFFFAOYSA-N
XLogP1.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3-propyloxiran-2-yl)methyl]azanium?
The IUPAC name of trimethyl-[(3-propyloxiran-2-yl)methyl]azanium (CID 22750416) is trimethyl-[(3-propyloxiran-2-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(3-propyloxiran-2-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(3-propyloxiran-2-yl)methyl]azanium is CCCC1OC1C[N+](C)(C)C.
What is the InChIKey of trimethyl-[(3-propyloxiran-2-yl)methyl]azanium?
The InChIKey is QXWXLCGJASKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-5-6-8-9(11-8)7-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1.
What are the key properties of trimethyl-[(3-propyloxiran-2-yl)methyl]azanium?
trimethyl-[(3-propyloxiran-2-yl)methyl]azanium has a molecular weight of 158.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3-propyloxiran-2-yl)methyl]azanium is sourced from PubChem (CID 22750416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).