ethyl-dimethyl-(3-methyloxiran-2-yl)azanium

C7H16NO+ — CID 18988936

IUPACethyl-dimethyl-(3-methyloxiran-2-yl)azanium
SMILESCC[N+](C)(C)C1OC1C
InChIInChI=1S/C7H16NO/c1-5-8(3,4)7-6(2)9-7/h6-7H,5H2,1-4H3/q+1
InChIKeyFDGQHJUZSKPEKF-UHFFFAOYSA-N
MW130.21 g/mol
LogP0.83
Rot. Bonds2

About ethyl-dimethyl-(3-methyloxiran-2-yl)azanium

ethyl-dimethyl-(3-methyloxiran-2-yl)azanium (PubChem CID 18988936) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is ethyl-dimethyl-(3-methyloxiran-2-yl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(3-methyloxiran-2-yl)azanium
PubChem CID18988936
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Nameethyl-dimethyl-(3-methyloxiran-2-yl)azanium
SMILESCC[N+](C)(C)C1OC1C
InChIInChI=1S/C7H16NO/c1-5-8(3,4)7-6(2)9-7/h6-7H,5H2,1-4H3/q+1
InChIKeyFDGQHJUZSKPEKF-UHFFFAOYSA-N
XLogP0.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.83
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 ethyl-dimethyl-(3-methyloxiran-2-yl)azanium?
The IUPAC name of ethyl-dimethyl-(3-methyloxiran-2-yl)azanium (CID 18988936) is ethyl-dimethyl-(3-methyloxiran-2-yl)azanium.
What is the SMILES notation for ethyl-dimethyl-(3-methyloxiran-2-yl)azanium?
The canonical SMILES for ethyl-dimethyl-(3-methyloxiran-2-yl)azanium is CC[N+](C)(C)C1OC1C.
What is the InChIKey of ethyl-dimethyl-(3-methyloxiran-2-yl)azanium?
The InChIKey is FDGQHJUZSKPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-5-8(3,4)7-6(2)9-7/h6-7H,5H2,1-4H3/q+1.
What are the key properties of ethyl-dimethyl-(3-methyloxiran-2-yl)azanium?
ethyl-dimethyl-(3-methyloxiran-2-yl)azanium has a molecular weight of 130.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(3-methyloxiran-2-yl)azanium is sourced from PubChem (CID 18988936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).