methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

C9H19NO — CID 158474492

IUPACmethane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESC.COCC1C=CCN(C)C1
InChIInChI=1S/C8H15NO.CH4/c1-9-5-3-4-8(6-9)7-10-2;/h3-4,8H,5-7H2,1-2H3;1H4
InChIKeyHGTNXVQRAAEHHV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.39
Rot. Bonds2

About methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 158474492) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Namemethane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID158474492
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namemethane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESC.COCC1C=CCN(C)C1
InChIInChI=1S/C8H15NO.CH4/c1-9-5-3-4-8(6-9)7-10-2;/h3-4,8H,5-7H2,1-2H3;1H4
InChIKeyHGTNXVQRAAEHHV-UHFFFAOYSA-N
XLogP1.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
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 methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 158474492) is methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is C.COCC1C=CCN(C)C1.
What is the InChIKey of methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is HGTNXVQRAAEHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.CH4/c1-9-5-3-4-8(6-9)7-10-2;/h3-4,8H,5-7H2,1-2H3;1H4.
What are the key properties of methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 157.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 158474492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).