1-(1-methylaziridin-2-yl)ethenamine

C5H10N2 — CID 173470431

IUPAC1-(1-methylaziridin-2-yl)ethenamine
SMILESC=C(N)C1CN1C
InChIInChI=1S/C5H10N2/c1-4(6)5-3-7(5)2/h5H,1,3,6H2,2H3
InChIKeyZTODELFVQILGRA-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.23
Rot. Bonds1

About 1-(1-methylaziridin-2-yl)ethenamine

1-(1-methylaziridin-2-yl)ethenamine (PubChem CID 173470431) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-(1-methylaziridin-2-yl)ethenamine.

Molecular Properties

Compound Name1-(1-methylaziridin-2-yl)ethenamine
PubChem CID173470431
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1-(1-methylaziridin-2-yl)ethenamine
SMILESC=C(N)C1CN1C
InChIInChI=1S/C5H10N2/c1-4(6)5-3-7(5)2/h5H,1,3,6H2,2H3
InChIKeyZTODELFVQILGRA-UHFFFAOYSA-N
XLogP-0.23
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.23
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 1-(1-methylaziridin-2-yl)ethenamine?
The IUPAC name of 1-(1-methylaziridin-2-yl)ethenamine (CID 173470431) is 1-(1-methylaziridin-2-yl)ethenamine.
What is the SMILES notation for 1-(1-methylaziridin-2-yl)ethenamine?
The canonical SMILES for 1-(1-methylaziridin-2-yl)ethenamine is C=C(N)C1CN1C.
What is the InChIKey of 1-(1-methylaziridin-2-yl)ethenamine?
The InChIKey is ZTODELFVQILGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4(6)5-3-7(5)2/h5H,1,3,6H2,2H3.
What are the key properties of 1-(1-methylaziridin-2-yl)ethenamine?
1-(1-methylaziridin-2-yl)ethenamine has a molecular weight of 98.15 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylaziridin-2-yl)ethenamine is sourced from PubChem (CID 173470431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).