N-methyl-1-(oxan-4-yl)methanimine

C7H13NO — CID 138714745

IUPACN-methyl-1-(oxan-4-yl)methanimine
SMILESC/N=C/C1CCOCC1
InChIInChI=1S/C7H13NO/c1-8-6-7-2-4-9-5-3-7/h6-7H,2-5H2,1H3/b8-6+
InChIKeyZAAVIVOTRPBPFK-SOFGYWHQSA-N
MW127.19 g/mol
LogP1.11
Rot. Bonds1

About N-methyl-1-(oxan-4-yl)methanimine

N-methyl-1-(oxan-4-yl)methanimine (PubChem CID 138714745) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)methanimine
PubChem CID138714745
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methyl-1-(oxan-4-yl)methanimine
SMILESC/N=C/C1CCOCC1
InChIInChI=1S/C7H13NO/c1-8-6-7-2-4-9-5-3-7/h6-7H,2-5H2,1H3/b8-6+
InChIKeyZAAVIVOTRPBPFK-SOFGYWHQSA-N
XLogP1.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.11
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-1-(oxan-4-yl)methanimine?
The IUPAC name of N-methyl-1-(oxan-4-yl)methanimine (CID 138714745) is N-methyl-1-(oxan-4-yl)methanimine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)methanimine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)methanimine is C/N=C/C1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)methanimine?
The InChIKey is ZAAVIVOTRPBPFK-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-7-2-4-9-5-3-7/h6-7H,2-5H2,1H3/b8-6+.
What are the key properties of N-methyl-1-(oxan-4-yl)methanimine?
N-methyl-1-(oxan-4-yl)methanimine has a molecular weight of 127.19 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)methanimine is sourced from PubChem (CID 138714745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).