1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium

C9H20N+ — CID 123740471

IUPAC1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium
SMILESCCCC1(C)C[N+]1(C)CC
InChIInChI=1S/C9H20N/c1-5-7-9(3)8-10(9,4)6-2/h5-8H2,1-4H3/q+1
InChIKeySUKYSCVQVDPJIL-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.03
Rot. Bonds3

About 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium

1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium (PubChem CID 123740471) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium.

Molecular Properties

Compound Name1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium
PubChem CID123740471
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Name1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium
SMILESCCCC1(C)C[N+]1(C)CC
InChIInChI=1S/C9H20N/c1-5-7-9(3)8-10(9,4)6-2/h5-8H2,1-4H3/q+1
InChIKeySUKYSCVQVDPJIL-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium?
The IUPAC name of 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium (CID 123740471) is 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium.
What is the SMILES notation for 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium?
The canonical SMILES for 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium is CCCC1(C)C[N+]1(C)CC.
What is the InChIKey of 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium?
The InChIKey is SUKYSCVQVDPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-5-7-9(3)8-10(9,4)6-2/h5-8H2,1-4H3/q+1.
What are the key properties of 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium?
1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium has a molecular weight of 142.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium is sourced from PubChem (CID 123740471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).