1-tert-butyl-2-(prop-2-enoxymethyl)aziridine

C10H19NO — CID 11686977

IUPAC1-tert-butyl-2-(prop-2-enoxymethyl)aziridine
SMILESC=CCOCC1CN1C(C)(C)C
InChIInChI=1S/C10H19NO/c1-5-6-12-8-9-7-11(9)10(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyKNNZTLYEAWJTAF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds4

About 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine

1-tert-butyl-2-(prop-2-enoxymethyl)aziridine (PubChem CID 11686977) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine.

Molecular Properties

Compound Name1-tert-butyl-2-(prop-2-enoxymethyl)aziridine
PubChem CID11686977
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-tert-butyl-2-(prop-2-enoxymethyl)aziridine
SMILESC=CCOCC1CN1C(C)(C)C
InChIInChI=1S/C10H19NO/c1-5-6-12-8-9-7-11(9)10(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyKNNZTLYEAWJTAF-UHFFFAOYSA-N
XLogP1.67
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 19899776
1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899765
tert-butyl (3S)-3-(prop-2-enoxymethyl)piperidine-1-carboxylate
CID 89323533
1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CID 20682611
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
1-[(2-chlorophenyl)methyl]-2-(prop-2-enoxymethyl)aziridine
CID 11557736
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-dioxane
CID 134255054
tert-butyl (3S,5R)-3-(methoxymethoxy)-5-(prop-2-enoxymethyl)piperidine-1-carboxylate
CID 177330558

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine?
The IUPAC name of 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine (CID 11686977) is 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine.
What is the SMILES notation for 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine?
The canonical SMILES for 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine is C=CCOCC1CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine?
The InChIKey is KNNZTLYEAWJTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-12-8-9-7-11(9)10(2,3)4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine?
1-tert-butyl-2-(prop-2-enoxymethyl)aziridine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(prop-2-enoxymethyl)aziridine is sourced from PubChem (CID 11686977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).