N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine

C9H16N2O — CID 134406517

IUPACN-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine
SMILESCNCCOC1=CC=C(C)NC1
InChIInChI=1S/C9H16N2O/c1-8-3-4-9(7-11-8)12-6-5-10-2/h3-4,10-11H,5-7H2,1-2H3
InChIKeyAQIWJQZFGIPYDJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.61
Rot. Bonds4

About N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine

N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine (PubChem CID 134406517) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine
PubChem CID134406517
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine
SMILESCNCCOC1=CC=C(C)NC1
InChIInChI=1S/C9H16N2O/c1-8-3-4-9(7-11-8)12-6-5-10-2/h3-4,10-11H,5-7H2,1-2H3
InChIKeyAQIWJQZFGIPYDJ-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.61
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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Related Compounds

3-Methoxy-5-methylidene-1,2-dihydropyrrole
CID 68225708
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
(3E)-4-ethoxy-N-ethylpenta-1,3-dien-2-amine
CID 88914752
(2E,4E)-2-N-(2-propan-2-yloxypropyl)hepta-2,4,6-triene-2,5-diamine
CID 89073971
2-[[(3E,5E)-7-amino-6-methoxyhepta-1,3,5-trien-3-yl]amino]ethanol
CID 90131568
(3Z,5E)-2-N-(2-methoxyethyl)hepta-1,3,5-triene-2,5-diamine
CID 122518402
(2E)-N-ethenyl-4-morpholin-4-ylpenta-2,4-dien-2-amine
CID 126584068
(2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine
CID 134406227
(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine
CID 134406326
2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134463158
(2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
CID 139390286
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine
CID 139544144

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine?
The IUPAC name of N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine (CID 134406517) is N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine.
What is the SMILES notation for N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine?
The canonical SMILES for N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine is CNCCOC1=CC=C(C)NC1.
What is the InChIKey of N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine?
The InChIKey is AQIWJQZFGIPYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-3-4-9(7-11-8)12-6-5-10-2/h3-4,10-11H,5-7H2,1-2H3.
What are the key properties of N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine?
N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.61, 4 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-1,2-dihydropyridin-3-yl)oxy]ethanamine is sourced from PubChem (CID 134406517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).