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

C6H14N2O — CID 59643831

IUPAC2-(3-methylaziridin-2-yl)oxypropan-1-amine
SMILESCC(CN)OC1NC1C
InChIInChI=1S/C6H14N2O/c1-4(3-7)9-6-5(2)8-6/h4-6,8H,3,7H2,1-2H3
InChIKeyUKLGSOOQOHEIPB-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.33
Rot. Bonds3

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

2-(3-methylaziridin-2-yl)oxypropan-1-amine (PubChem CID 59643831) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(3-methylaziridin-2-yl)oxypropan-1-amine.

Molecular Properties

Compound Name2-(3-methylaziridin-2-yl)oxypropan-1-amine
PubChem CID59643831
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-(3-methylaziridin-2-yl)oxypropan-1-amine
SMILESCC(CN)OC1NC1C
InChIInChI=1S/C6H14N2O/c1-4(3-7)9-6-5(2)8-6/h4-6,8H,3,7H2,1-2H3
InChIKeyUKLGSOOQOHEIPB-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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Related Compounds

2-Ethoxyaziridine
CID 12603538
2-Butoxyaziridine
CID 12603539
2-Methoxy-2-methylaziridine
CID 21493693
1-(3-Methylaziridin-2-yl)oxypropan-2-amine
CID 58003129
1-(2-Methylaziridin-2-yl)oxypropan-2-amine
CID 58113178
2-(Aziridin-2-yloxy)ethanamine
CID 59180666
2-Methyl-3-propan-2-yloxyaziridine
CID 88623461
2-Ethyl-3-propan-2-yloxyaziridine
CID 88623824
2,2-Dimethyl-3-propan-2-yloxyaziridine
CID 88623995
2-Propan-2-yloxyaziridine
CID 88624051
2-Methyl-3-[(2-methylpropan-2-yl)oxy]aziridine
CID 88709500
2-[(2-Methylpropan-2-yl)oxy]aziridine
CID 88710315

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylaziridin-2-yl)oxypropan-1-amine?
The IUPAC name of 2-(3-methylaziridin-2-yl)oxypropan-1-amine (CID 59643831) is 2-(3-methylaziridin-2-yl)oxypropan-1-amine.
What is the SMILES notation for 2-(3-methylaziridin-2-yl)oxypropan-1-amine?
The canonical SMILES for 2-(3-methylaziridin-2-yl)oxypropan-1-amine is CC(CN)OC1NC1C.
What is the InChIKey of 2-(3-methylaziridin-2-yl)oxypropan-1-amine?
The InChIKey is UKLGSOOQOHEIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4(3-7)9-6-5(2)8-6/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-(3-methylaziridin-2-yl)oxypropan-1-amine?
2-(3-methylaziridin-2-yl)oxypropan-1-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 2-(3-methylaziridin-2-yl)oxypropan-1-amine is sourced from PubChem (CID 59643831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).