N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine

C9H18N2 — CID 70093176

IUPACN-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESCNCCC1=CC(C)NCC1
InChIInChI=1S/C9H18N2/c1-8-7-9(3-5-10-2)4-6-11-8/h7-8,10-11H,3-6H2,1-2H3
InChIKeyPWOOUTILYDVTAD-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine

N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine (PubChem CID 70093176) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine
PubChem CID70093176
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESCNCCC1=CC(C)NCC1
InChIInChI=1S/C9H18N2/c1-8-7-9(3-5-10-2)4-6-11-8/h7-8,10-11H,3-6H2,1-2H3
InChIKeyPWOOUTILYDVTAD-UHFFFAOYSA-N
XLogP0.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine (CID 70093176) is N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine is CNCCC1=CC(C)NCC1.
What is the InChIKey of N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The InChIKey is PWOOUTILYDVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-7-9(3-5-10-2)4-6-11-8/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine is sourced from PubChem (CID 70093176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).