1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine

C8H15NO — CID 89172437

IUPAC1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
SMILES[H]/N=C(\C)C1C[C@H]([3H])O[C@@H]1CC
InChIInChI=1S/C8H15NO/c1-3-8-7(6(2)9)4-5-10-8/h7-9H,3-5H2,1-2H3/b9-6+/t7?,8-/m1/s1/i5T/t5-,7?,8+/m0
InChIKeyABWNEYHKOYSDTC-KJRJATCESA-N
MW143.22 g/mol
LogP1.84
Rot. Bonds2

About 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine

1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine (PubChem CID 89172437) has the molecular formula C8H15NO and a molecular weight of 143.22 g/mol. Its IUPAC name is 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine.

Molecular Properties

Compound Name1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
PubChem CID89172437
Molecular FormulaC8H15NO
Molecular Weight143.22 g/mol
Exact Mass143.12
IUPAC Name1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
SMILES[H]/N=C(\C)C1C[C@H]([3H])O[C@@H]1CC
InChIInChI=1S/C8H15NO/c1-3-8-7(6(2)9)4-5-10-8/h7-9H,3-5H2,1-2H3/b9-6+/t7?,8-/m1/s1/i5T/t5-,7?,8+/m0
InChIKeyABWNEYHKOYSDTC-KJRJATCESA-N
XLogP1.84
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Cyclopentanecarboximidic acid ethyl ester
CID 11412691
1-(3-Methoxycyclopentyl)ethanimine
CID 57697752
1-[(2R)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
CID 57722183
4-(Oxiran-2-yl)pentan-2-imine
CID 90846302
3-(3-Methyloxiran-2-yl)pentan-2-imine
CID 123219338
1-(Oxolan-3-yl)ethanimine
CID 123431537
(3R)-6-methoxy-3-methylhexan-2-imine
CID 130282879
1-(Oxan-4-yl)propan-2-imine
CID 138517546
2-(5-Ethanimidoyloxolan-3-yl)acetonitrile
CID 138517574
5-Methyl-3-pentyloxolan-2-imine
CID 143320578
2-(3-Imino-4-methylhexan-2-yl)oxy-4-methylhexan-3-imine
CID 150015752
1-(4-Methyloxan-2-yl)ethanimine
CID 163540669

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine?
The IUPAC name of 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine (CID 89172437) is 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine.
What is the SMILES notation for 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine?
The canonical SMILES for 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine is [H]/N=C(\C)C1C[C@H]([3H])O[C@@H]1CC.
What is the InChIKey of 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine?
The InChIKey is ABWNEYHKOYSDTC-KJRJATCESA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8-7(6(2)9)4-5-10-8/h7-9H,3-5H2,1-2H3/b9-6+/t7?,8-/m1/s1/i5T/t5-,7?,8+/m0.
What are the key properties of 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine?
1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine has a molecular weight of 143.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine is sourced from PubChem (CID 89172437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).