N-methyl-1-(oxiran-2-yl)ethanamine

C5H11NO — CID 20601501

IUPACN-methyl-1-(oxiran-2-yl)ethanamine
SMILESCNC(C)C1CO1
InChIInChI=1S/C5H11NO/c1-4(6-2)5-3-7-5/h4-6H,3H2,1-2H3
InChIKeySYCATARAXXDFGG-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.01
Rot. Bonds2

About N-methyl-1-(oxiran-2-yl)ethanamine

N-methyl-1-(oxiran-2-yl)ethanamine (PubChem CID 20601501) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-methyl-1-(oxiran-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxiran-2-yl)ethanamine
PubChem CID20601501
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-methyl-1-(oxiran-2-yl)ethanamine
SMILESCNC(C)C1CO1
InChIInChI=1S/C5H11NO/c1-4(6-2)5-3-7-5/h4-6H,3H2,1-2H3
InChIKeySYCATARAXXDFGG-UHFFFAOYSA-N
XLogP-0.01
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
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-methyl-1-(oxiran-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(oxiran-2-yl)ethanamine (CID 20601501) is N-methyl-1-(oxiran-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(oxiran-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(oxiran-2-yl)ethanamine is CNC(C)C1CO1.
What is the InChIKey of N-methyl-1-(oxiran-2-yl)ethanamine?
The InChIKey is SYCATARAXXDFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(6-2)5-3-7-5/h4-6H,3H2,1-2H3.
What are the key properties of N-methyl-1-(oxiran-2-yl)ethanamine?
N-methyl-1-(oxiran-2-yl)ethanamine has a molecular weight of 101.15 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxiran-2-yl)ethanamine is sourced from PubChem (CID 20601501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).