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

C8H16N2O — CID 90815987

IUPAC(5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine
SMILESCOC1=CC(C)CNC1CN
InChIInChI=1S/C8H16N2O/c1-6-3-8(11-2)7(4-9)10-5-6/h3,6-7,10H,4-5,9H2,1-2H3
InChIKeyKPDPBRDYICSTHT-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.08
Rot. Bonds2

About (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine

(5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine (PubChem CID 90815987) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine
PubChem CID90815987
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine
SMILESCOC1=CC(C)CNC1CN
InChIInChI=1S/C8H16N2O/c1-6-3-8(11-2)7(4-9)10-5-6/h3,6-7,10H,4-5,9H2,1-2H3
InChIKeyKPDPBRDYICSTHT-UHFFFAOYSA-N
XLogP0.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine?
The IUPAC name of (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine (CID 90815987) is (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine.
What is the SMILES notation for (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine?
The canonical SMILES for (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine is COC1=CC(C)CNC1CN.
What is the InChIKey of (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine?
The InChIKey is KPDPBRDYICSTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-3-8(11-2)7(4-9)10-5-6/h3,6-7,10H,4-5,9H2,1-2H3.
What are the key properties of (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine?
(5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine has a molecular weight of 156.23 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1,2,3,6-tetrahydropyridin-6-yl)methanamine is sourced from PubChem (CID 90815987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).