N-ethyl-2-propan-2-yloxyethanimine

C7H15NO — CID 19354663

IUPACN-ethyl-2-propan-2-yloxyethanimine
SMILESCC/N=C/COC(C)C
InChIInChI=1S/C7H15NO/c1-4-8-5-6-9-7(2)3/h5,7H,4,6H2,1-3H3/b8-5+
InChIKeyHXNFKJBRJPVCDM-VMPITWQZSA-N
MW129.20 g/mol
LogP1.50
Rot. Bonds4

About N-ethyl-2-propan-2-yloxyethanimine

N-ethyl-2-propan-2-yloxyethanimine (PubChem CID 19354663) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yloxyethanimine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yloxyethanimine
PubChem CID19354663
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-ethyl-2-propan-2-yloxyethanimine
SMILESCC/N=C/COC(C)C
InChIInChI=1S/C7H15NO/c1-4-8-5-6-9-7(2)3/h5,7H,4,6H2,1-3H3/b8-5+
InChIKeyHXNFKJBRJPVCDM-VMPITWQZSA-N
XLogP1.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
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 N-ethyl-2-propan-2-yloxyethanimine?
The IUPAC name of N-ethyl-2-propan-2-yloxyethanimine (CID 19354663) is N-ethyl-2-propan-2-yloxyethanimine.
What is the SMILES notation for N-ethyl-2-propan-2-yloxyethanimine?
The canonical SMILES for N-ethyl-2-propan-2-yloxyethanimine is CC/N=C/COC(C)C.
What is the InChIKey of N-ethyl-2-propan-2-yloxyethanimine?
The InChIKey is HXNFKJBRJPVCDM-VMPITWQZSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-8-5-6-9-7(2)3/h5,7H,4,6H2,1-3H3/b8-5+.
What are the key properties of N-ethyl-2-propan-2-yloxyethanimine?
N-ethyl-2-propan-2-yloxyethanimine has a molecular weight of 129.20 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yloxyethanimine is sourced from PubChem (CID 19354663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).