N,N,2-trimethyloxiran-2-amine

C5H11NO — CID 88662274

IUPACN,N,2-trimethyloxiran-2-amine
SMILESCN(C)C1(C)CO1
InChIInChI=1S/C5H11NO/c1-5(4-7-5)6(2)3/h4H2,1-3H3
InChIKeyBVUNFFUOHFJRQK-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.29
Rot. Bonds1

About N,N,2-trimethyloxiran-2-amine

N,N,2-trimethyloxiran-2-amine (PubChem CID 88662274) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N,N,2-trimethyloxiran-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyloxiran-2-amine
PubChem CID88662274
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN,N,2-trimethyloxiran-2-amine
SMILESCN(C)C1(C)CO1
InChIInChI=1S/C5H11NO/c1-5(4-7-5)6(2)3/h4H2,1-3H3
InChIKeyBVUNFFUOHFJRQK-UHFFFAOYSA-N
XLogP0.29
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,N,2-trimethyloxiran-2-amine?
The IUPAC name of N,N,2-trimethyloxiran-2-amine (CID 88662274) is N,N,2-trimethyloxiran-2-amine.
What is the SMILES notation for N,N,2-trimethyloxiran-2-amine?
The canonical SMILES for N,N,2-trimethyloxiran-2-amine is CN(C)C1(C)CO1.
What is the InChIKey of N,N,2-trimethyloxiran-2-amine?
The InChIKey is BVUNFFUOHFJRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(4-7-5)6(2)3/h4H2,1-3H3.
What are the key properties of N,N,2-trimethyloxiran-2-amine?
N,N,2-trimethyloxiran-2-amine has a molecular weight of 101.15 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyloxiran-2-amine is sourced from PubChem (CID 88662274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).