N-methyl-2-(oxan-4-ylidene)ethanamine

C8H15NO — CID 115011419

IUPACN-methyl-2-(oxan-4-ylidene)ethanamine
SMILESCNCC=C1CCOCC1
InChIInChI=1S/C8H15NO/c1-9-5-2-8-3-6-10-7-4-8/h2,9H,3-7H2,1H3
InChIKeyURRGDESOKPFYCY-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds2

About N-methyl-2-(oxan-4-ylidene)ethanamine

N-methyl-2-(oxan-4-ylidene)ethanamine (PubChem CID 115011419) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-ylidene)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-ylidene)ethanamine
PubChem CID115011419
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-2-(oxan-4-ylidene)ethanamine
SMILESCNCC=C1CCOCC1
InChIInChI=1S/C8H15NO/c1-9-5-2-8-3-6-10-7-4-8/h2,9H,3-7H2,1H3
InChIKeyURRGDESOKPFYCY-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-ylidene)ethanamine?
The IUPAC name of N-methyl-2-(oxan-4-ylidene)ethanamine (CID 115011419) is N-methyl-2-(oxan-4-ylidene)ethanamine.
What is the SMILES notation for N-methyl-2-(oxan-4-ylidene)ethanamine?
The canonical SMILES for N-methyl-2-(oxan-4-ylidene)ethanamine is CNCC=C1CCOCC1.
What is the InChIKey of N-methyl-2-(oxan-4-ylidene)ethanamine?
The InChIKey is URRGDESOKPFYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-2-8-3-6-10-7-4-8/h2,9H,3-7H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-ylidene)ethanamine?
N-methyl-2-(oxan-4-ylidene)ethanamine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-ylidene)ethanamine is sourced from PubChem (CID 115011419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).