1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine

C8H16N2 — CID 71758631

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCC(N)C1=CCN(C)CC1
InChIInChI=1S/C8H16N2/c1-7(9)8-3-5-10(2)6-4-8/h3,7H,4-6,9H2,1-2H3
InChIKeyFGXZEDMDGLAUPT-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.60
Rot. Bonds1

About 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine

1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (PubChem CID 71758631) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
PubChem CID71758631
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCC(N)C1=CCN(C)CC1
InChIInChI=1S/C8H16N2/c1-7(9)8-3-5-10(2)6-4-8/h3,7H,4-6,9H2,1-2H3
InChIKeyFGXZEDMDGLAUPT-UHFFFAOYSA-N
XLogP0.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
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 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (CID 71758631) is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is CC(N)C1=CCN(C)CC1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The InChIKey is FGXZEDMDGLAUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(9)8-3-5-10(2)6-4-8/h3,7H,4-6,9H2,1-2H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is sourced from PubChem (CID 71758631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).