2-ethoxypentan-3-imine

C7H15NO — CID 123646802

IUPAC2-ethoxypentan-3-imine
SMILES[H]/N=C(\CC)C(C)OCC
InChIInChI=1S/C7H15NO/c1-4-7(8)6(3)9-5-2/h6,8H,4-5H2,1-3H3/b8-7+
InChIKeySMYKMEZCLDVONU-BQYQJAHWSA-N
MW129.20 g/mol
LogP1.84
Rot. Bonds4

About 2-ethoxypentan-3-imine

2-ethoxypentan-3-imine (PubChem CID 123646802) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-ethoxypentan-3-imine.

Molecular Properties

Compound Name2-ethoxypentan-3-imine
PubChem CID123646802
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-ethoxypentan-3-imine
SMILES[H]/N=C(\CC)C(C)OCC
InChIInChI=1S/C7H15NO/c1-4-7(8)6(3)9-5-2/h6,8H,4-5H2,1-3H3/b8-7+
InChIKeySMYKMEZCLDVONU-BQYQJAHWSA-N
XLogP1.84
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypentan-3-imine?
The IUPAC name of 2-ethoxypentan-3-imine (CID 123646802) is 2-ethoxypentan-3-imine.
What is the SMILES notation for 2-ethoxypentan-3-imine?
The canonical SMILES for 2-ethoxypentan-3-imine is [H]/N=C(\CC)C(C)OCC.
What is the InChIKey of 2-ethoxypentan-3-imine?
The InChIKey is SMYKMEZCLDVONU-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(8)6(3)9-5-2/h6,8H,4-5H2,1-3H3/b8-7+.
What are the key properties of 2-ethoxypentan-3-imine?
2-ethoxypentan-3-imine has a molecular weight of 129.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypentan-3-imine is sourced from PubChem (CID 123646802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).