[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine

C9H18N2O — CID 117003393

IUPAC[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
SMILESCOCCN1CC=C(CN)CC1
InChIInChI=1S/C9H18N2O/c1-12-7-6-11-4-2-9(8-10)3-5-11/h2H,3-8,10H2,1H3
InChIKeyGDPBJYZKYJXYAE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.22
Rot. Bonds4

About [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine

[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine (PubChem CID 117003393) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
PubChem CID117003393
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
SMILESCOCCN1CC=C(CN)CC1
InChIInChI=1S/C9H18N2O/c1-12-7-6-11-4-2-9(8-10)3-5-11/h2H,3-8,10H2,1H3
InChIKeyGDPBJYZKYJXYAE-UHFFFAOYSA-N
XLogP0.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The IUPAC name of [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine (CID 117003393) is [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine is COCCN1CC=C(CN)CC1.
What is the InChIKey of [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The InChIKey is GDPBJYZKYJXYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-7-6-11-4-2-9(8-10)3-5-11/h2H,3-8,10H2,1H3.
What are the key properties of [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine?
[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine has a molecular weight of 170.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine is sourced from PubChem (CID 117003393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).