N-methyl-2-propan-2-yloxyethanimine

C6H13NO — CID 54539982

IUPACN-methyl-2-propan-2-yloxyethanimine
SMILESC/N=C/COC(C)C
InChIInChI=1S/C6H13NO/c1-6(2)8-5-4-7-3/h4,6H,5H2,1-3H3/b7-4+
InChIKeyUCBPOMXOILACIL-QPJJXVBHSA-N
MW115.18 g/mol
LogP1.11
Rot. Bonds3

About N-methyl-2-propan-2-yloxyethanimine

N-methyl-2-propan-2-yloxyethanimine (PubChem CID 54539982) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-methyl-2-propan-2-yloxyethanimine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yloxyethanimine
PubChem CID54539982
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-methyl-2-propan-2-yloxyethanimine
SMILESC/N=C/COC(C)C
InChIInChI=1S/C6H13NO/c1-6(2)8-5-4-7-3/h4,6H,5H2,1-3H3/b7-4+
InChIKeyUCBPOMXOILACIL-QPJJXVBHSA-N
XLogP1.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-propan-2-yloxyethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yloxyethanimine?
The IUPAC name of N-methyl-2-propan-2-yloxyethanimine (CID 54539982) is N-methyl-2-propan-2-yloxyethanimine.
What is the SMILES notation for N-methyl-2-propan-2-yloxyethanimine?
The canonical SMILES for N-methyl-2-propan-2-yloxyethanimine is C/N=C/COC(C)C.
What is the InChIKey of N-methyl-2-propan-2-yloxyethanimine?
The InChIKey is UCBPOMXOILACIL-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)8-5-4-7-3/h4,6H,5H2,1-3H3/b7-4+.
What are the key properties of N-methyl-2-propan-2-yloxyethanimine?
N-methyl-2-propan-2-yloxyethanimine has a molecular weight of 115.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yloxyethanimine is sourced from PubChem (CID 54539982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).