2-methyl-2-(oxiran-2-yl)pentan-3-imine

C8H15NO — CID 144651910

IUPAC2-methyl-2-(oxiran-2-yl)pentan-3-imine
SMILES[H]/N=C(\CC)C(C)(C)C1CO1
InChIInChI=1S/C8H15NO/c1-4-6(9)8(2,3)7-5-10-7/h7,9H,4-5H2,1-3H3/b9-6+
InChIKeyAVJJTZPHHJAVGN-RMKNXTFCSA-N
MW141.21 g/mol
LogP1.84
Rot. Bonds3

About 2-methyl-2-(oxiran-2-yl)pentan-3-imine

2-methyl-2-(oxiran-2-yl)pentan-3-imine (PubChem CID 144651910) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-2-(oxiran-2-yl)pentan-3-imine.

Molecular Properties

Compound Name2-methyl-2-(oxiran-2-yl)pentan-3-imine
PubChem CID144651910
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-2-(oxiran-2-yl)pentan-3-imine
SMILES[H]/N=C(\CC)C(C)(C)C1CO1
InChIInChI=1S/C8H15NO/c1-4-6(9)8(2,3)7-5-10-7/h7,9H,4-5H2,1-3H3/b9-6+
InChIKeyAVJJTZPHHJAVGN-RMKNXTFCSA-N
XLogP1.84
TPSA36.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxiran-2-yl)pentan-3-imine?
The IUPAC name of 2-methyl-2-(oxiran-2-yl)pentan-3-imine (CID 144651910) is 2-methyl-2-(oxiran-2-yl)pentan-3-imine.
What is the SMILES notation for 2-methyl-2-(oxiran-2-yl)pentan-3-imine?
The canonical SMILES for 2-methyl-2-(oxiran-2-yl)pentan-3-imine is [H]/N=C(\CC)C(C)(C)C1CO1.
What is the InChIKey of 2-methyl-2-(oxiran-2-yl)pentan-3-imine?
The InChIKey is AVJJTZPHHJAVGN-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6(9)8(2,3)7-5-10-7/h7,9H,4-5H2,1-3H3/b9-6+.
What are the key properties of 2-methyl-2-(oxiran-2-yl)pentan-3-imine?
2-methyl-2-(oxiran-2-yl)pentan-3-imine has a molecular weight of 141.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxiran-2-yl)pentan-3-imine is sourced from PubChem (CID 144651910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).