methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

C8H16N2O — CID 153439808

IUPACmethoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCOC(N)C1=CCCN(C)C1
InChIInChI=1S/C8H16N2O/c1-10-5-3-4-7(6-10)8(9)11-2/h4,8H,3,5-6,9H2,1-2H3
InChIKeyMCHHHSZGILQSEF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.18
Rot. Bonds2

About methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (PubChem CID 153439808) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.

Molecular Properties

Compound Namemethoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
PubChem CID153439808
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Namemethoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCOC(N)C1=CCCN(C)C1
InChIInChI=1S/C8H16N2O/c1-10-5-3-4-7(6-10)8(9)11-2/h4,8H,3,5-6,9H2,1-2H3
InChIKeyMCHHHSZGILQSEF-UHFFFAOYSA-N
XLogP0.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.18
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 methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The IUPAC name of methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (CID 153439808) is methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.
What is the SMILES notation for methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The canonical SMILES for methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is COC(N)C1=CCCN(C)C1.
What is the InChIKey of methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The InChIKey is MCHHHSZGILQSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-5-3-4-7(6-10)8(9)11-2/h4,8H,3,5-6,9H2,1-2H3.
What are the key properties of methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine has a molecular weight of 156.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is sourced from PubChem (CID 153439808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).