methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine

C7H14N2O — CID 163951235

IUPACmethoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILESCOC(N)C1=CCNCC1
InChIInChI=1S/C7H14N2O/c1-10-7(8)6-2-4-9-5-3-6/h2,7,9H,3-5,8H2,1H3
InChIKeyRZMPIQBBJYFZFR-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.16
Rot. Bonds2

About methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine

methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine (PubChem CID 163951235) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine.

Molecular Properties

Compound Namemethoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
PubChem CID163951235
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Namemethoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILESCOC(N)C1=CCNCC1
InChIInChI=1S/C7H14N2O/c1-10-7(8)6-2-4-9-5-3-6/h2,7,9H,3-5,8H2,1H3
InChIKeyRZMPIQBBJYFZFR-UHFFFAOYSA-N
XLogP-0.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
1-(3,6-dihydro-2H-pyran-4-yl)-N-methylmethanamine
CID 130900413
6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
CID 143591895
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716074
5-(2-Methoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716251
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716252
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253

Frequently Asked Questions

What is the IUPAC name of methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The IUPAC name of methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine (CID 163951235) is methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine.
What is the SMILES notation for methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The canonical SMILES for methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine is COC(N)C1=CCNCC1.
What is the InChIKey of methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The InChIKey is RZMPIQBBJYFZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-10-7(8)6-2-4-9-5-3-6/h2,7,9H,3-5,8H2,1H3.
What are the key properties of methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine?
methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine has a molecular weight of 142.20 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine is sourced from PubChem (CID 163951235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).