2,3-dimethyl-2-propylaziridine

C7H15N — CID 123992321

IUPAC2,3-dimethyl-2-propylaziridine
SMILESCCCC1(C)NC1C
InChIInChI=1S/C7H15N/c1-4-5-7(3)6(2)8-7/h6,8H,4-5H2,1-3H3
InChIKeyYQLCGZJKRSWOOK-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.54
Rot. Bonds2

About 2,3-dimethyl-2-propylaziridine

2,3-dimethyl-2-propylaziridine (PubChem CID 123992321) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2,3-dimethyl-2-propylaziridine.

Molecular Properties

Compound Name2,3-dimethyl-2-propylaziridine
PubChem CID123992321
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2,3-dimethyl-2-propylaziridine
SMILESCCCC1(C)NC1C
InChIInChI=1S/C7H15N/c1-4-5-7(3)6(2)8-7/h6,8H,4-5H2,1-3H3
InChIKeyYQLCGZJKRSWOOK-UHFFFAOYSA-N
XLogP1.54
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-propylaziridine?
The IUPAC name of 2,3-dimethyl-2-propylaziridine (CID 123992321) is 2,3-dimethyl-2-propylaziridine.
What is the SMILES notation for 2,3-dimethyl-2-propylaziridine?
The canonical SMILES for 2,3-dimethyl-2-propylaziridine is CCCC1(C)NC1C.
What is the InChIKey of 2,3-dimethyl-2-propylaziridine?
The InChIKey is YQLCGZJKRSWOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-4-5-7(3)6(2)8-7/h6,8H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-propylaziridine?
2,3-dimethyl-2-propylaziridine has a molecular weight of 113.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-propylaziridine is sourced from PubChem (CID 123992321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).