1-(3-methylaziridin-2-yl)oxypropan-2-amine

C6H14N2O — CID 58003129

IUPAC1-(3-methylaziridin-2-yl)oxypropan-2-amine
SMILESCC(N)COC1NC1C
InChIInChI=1S/C6H14N2O/c1-4(7)3-9-6-5(2)8-6/h4-6,8H,3,7H2,1-2H3
InChIKeyKJPRYJGAXURBGW-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.33
Rot. Bonds3

About 1-(3-methylaziridin-2-yl)oxypropan-2-amine

1-(3-methylaziridin-2-yl)oxypropan-2-amine (PubChem CID 58003129) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(3-methylaziridin-2-yl)oxypropan-2-amine.

Molecular Properties

Compound Name1-(3-methylaziridin-2-yl)oxypropan-2-amine
PubChem CID58003129
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-(3-methylaziridin-2-yl)oxypropan-2-amine
SMILESCC(N)COC1NC1C
InChIInChI=1S/C6H14N2O/c1-4(7)3-9-6-5(2)8-6/h4-6,8H,3,7H2,1-2H3
InChIKeyKJPRYJGAXURBGW-UHFFFAOYSA-N
XLogP-0.33
TPSA57.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methylaziridin-2-yl)oxypropan-2-amine?
The IUPAC name of 1-(3-methylaziridin-2-yl)oxypropan-2-amine (CID 58003129) is 1-(3-methylaziridin-2-yl)oxypropan-2-amine.
What is the SMILES notation for 1-(3-methylaziridin-2-yl)oxypropan-2-amine?
The canonical SMILES for 1-(3-methylaziridin-2-yl)oxypropan-2-amine is CC(N)COC1NC1C.
What is the InChIKey of 1-(3-methylaziridin-2-yl)oxypropan-2-amine?
The InChIKey is KJPRYJGAXURBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4(7)3-9-6-5(2)8-6/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-(3-methylaziridin-2-yl)oxypropan-2-amine?
1-(3-methylaziridin-2-yl)oxypropan-2-amine has a molecular weight of 130.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylaziridin-2-yl)oxypropan-2-amine is sourced from PubChem (CID 58003129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).