N-methyl-2-(oxan-3-yl)ethanimine

C8H15NO — CID 67251686

IUPACN-methyl-2-(oxan-3-yl)ethanimine
SMILESC/N=C/CC1CCCOC1
InChIInChI=1S/C8H15NO/c1-9-5-4-8-3-2-6-10-7-8/h5,8H,2-4,6-7H2,1H3/b9-5+
InChIKeyZYCRJHDWSXEKAC-WEVVVXLNSA-N
MW141.21 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-2-(oxan-3-yl)ethanimine

N-methyl-2-(oxan-3-yl)ethanimine (PubChem CID 67251686) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-2-(oxan-3-yl)ethanimine.

Molecular Properties

Compound NameN-methyl-2-(oxan-3-yl)ethanimine
PubChem CID67251686
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-2-(oxan-3-yl)ethanimine
SMILESC/N=C/CC1CCCOC1
InChIInChI=1S/C8H15NO/c1-9-5-4-8-3-2-6-10-7-8/h5,8H,2-4,6-7H2,1H3/b9-5+
InChIKeyZYCRJHDWSXEKAC-WEVVVXLNSA-N
XLogP1.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
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-methyl-2-(oxan-3-yl)ethanimine?
The IUPAC name of N-methyl-2-(oxan-3-yl)ethanimine (CID 67251686) is N-methyl-2-(oxan-3-yl)ethanimine.
What is the SMILES notation for N-methyl-2-(oxan-3-yl)ethanimine?
The canonical SMILES for N-methyl-2-(oxan-3-yl)ethanimine is C/N=C/CC1CCCOC1.
What is the InChIKey of N-methyl-2-(oxan-3-yl)ethanimine?
The InChIKey is ZYCRJHDWSXEKAC-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-4-8-3-2-6-10-7-8/h5,8H,2-4,6-7H2,1H3/b9-5+.
What are the key properties of N-methyl-2-(oxan-3-yl)ethanimine?
N-methyl-2-(oxan-3-yl)ethanimine has a molecular weight of 141.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-3-yl)ethanimine is sourced from PubChem (CID 67251686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).