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

C8H16N2O — CID 139581381

IUPACN-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCONCC1=CCCN(C)C1
InChIInChI=1S/C8H16N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,9H,3,5-7H2,1-2H3
InChIKeyLFEPEHPTMDXMMC-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.40
Rot. Bonds3

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

N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (PubChem CID 139581381) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
PubChem CID139581381
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCONCC1=CCCN(C)C1
InChIInChI=1S/C8H16N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,9H,3,5-7H2,1-2H3
InChIKeyLFEPEHPTMDXMMC-UHFFFAOYSA-N
XLogP0.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The IUPAC name of N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (CID 139581381) is N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The canonical SMILES for N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is CONCC1=CCCN(C)C1.
What is the InChIKey of N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The InChIKey is LFEPEHPTMDXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,9H,3,5-7H2,1-2H3.
What are the key properties of N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine has a molecular weight of 156.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is sourced from PubChem (CID 139581381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).