methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine

C8H18N2O — CID 91232901

IUPACmethoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=CCC1.COCN
InChIInChI=1S/C6H11N.C2H7NO/c1-7-5-3-2-4-6-7;1-4-2-3/h2-3H,4-6H2,1H3;2-3H2,1H3
InChIKeyBLUMFKXTYVPPTR-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.43
Rot. Bonds1

About methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine

methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 91232901) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Namemethoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine
PubChem CID91232901
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Namemethoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=CCC1.COCN
InChIInChI=1S/C6H11N.C2H7NO/c1-7-5-3-2-4-6-7;1-4-2-3/h2-3H,4-6H2,1H3;2-3H2,1H3
InChIKeyBLUMFKXTYVPPTR-UHFFFAOYSA-N
XLogP0.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine (CID 91232901) is methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine is CN1CC=CCC1.COCN.
What is the InChIKey of methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is BLUMFKXTYVPPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H7NO/c1-7-5-3-2-4-6-7;1-4-2-3/h2-3H,4-6H2,1H3;2-3H2,1H3.
What are the key properties of methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine?
methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 158.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethanamine;1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 91232901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).