N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine

C10H18N2O — CID 70382080

IUPACN-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine
SMILESCNCCOCC1=CCC=C(C)N1
InChIInChI=1S/C10H18N2O/c1-9-4-3-5-10(12-9)8-13-7-6-11-2/h4-5,11-12H,3,6-8H2,1-2H3
InChIKeyVJSBYIABPJCGGS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.00
Rot. Bonds5

About N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine

N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine (PubChem CID 70382080) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine
PubChem CID70382080
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine
SMILESCNCCOCC1=CCC=C(C)N1
InChIInChI=1S/C10H18N2O/c1-9-4-3-5-10(12-9)8-13-7-6-11-2/h4-5,11-12H,3,6-8H2,1-2H3
InChIKeyVJSBYIABPJCGGS-UHFFFAOYSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine?
The IUPAC name of N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine (CID 70382080) is N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine?
The canonical SMILES for N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine is CNCCOCC1=CCC=C(C)N1.
What is the InChIKey of N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine?
The InChIKey is VJSBYIABPJCGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9-4-3-5-10(12-9)8-13-7-6-11-2/h4-5,11-12H,3,6-8H2,1-2H3.
What are the key properties of N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine?
N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine has a molecular weight of 182.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-methyl-1,4-dihydropyridin-2-yl)methoxy]ethanamine is sourced from PubChem (CID 70382080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).