1-ethoxybutan-2-imine

C6H13NO — CID 123509127

IUPAC1-ethoxybutan-2-imine
SMILES[H]/N=C(\CC)COCC
InChIInChI=1S/C6H13NO/c1-3-6(7)5-8-4-2/h7H,3-5H2,1-2H3/b7-6+
InChIKeyUECBRNOCNYIAKB-VOTSOKGWSA-N
MW115.18 g/mol
LogP1.45
Rot. Bonds4

About 1-ethoxybutan-2-imine

1-ethoxybutan-2-imine (PubChem CID 123509127) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-ethoxybutan-2-imine.

Molecular Properties

Compound Name1-ethoxybutan-2-imine
PubChem CID123509127
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-ethoxybutan-2-imine
SMILES[H]/N=C(\CC)COCC
InChIInChI=1S/C6H13NO/c1-3-6(7)5-8-4-2/h7H,3-5H2,1-2H3/b7-6+
InChIKeyUECBRNOCNYIAKB-VOTSOKGWSA-N
XLogP1.45
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.45
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 1-ethoxybutan-2-imine?
The IUPAC name of 1-ethoxybutan-2-imine (CID 123509127) is 1-ethoxybutan-2-imine.
What is the SMILES notation for 1-ethoxybutan-2-imine?
The canonical SMILES for 1-ethoxybutan-2-imine is [H]/N=C(\CC)COCC.
What is the InChIKey of 1-ethoxybutan-2-imine?
The InChIKey is UECBRNOCNYIAKB-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-6(7)5-8-4-2/h7H,3-5H2,1-2H3/b7-6+.
What are the key properties of 1-ethoxybutan-2-imine?
1-ethoxybutan-2-imine has a molecular weight of 115.18 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybutan-2-imine is sourced from PubChem (CID 123509127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).