4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine

C14H28N2O — CID 114413488

IUPAC4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine
SMILESCCCNCCCCN1CC=C(COC)CC1
InChIInChI=1S/C14H28N2O/c1-3-8-15-9-4-5-10-16-11-6-14(7-12-16)13-17-2/h6,15H,3-5,7-13H2,1-2H3
InChIKeyIOGTYUOQPGLENA-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds9

About 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine

4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine (PubChem CID 114413488) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine
PubChem CID114413488
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine
SMILESCCCNCCCCN1CC=C(COC)CC1
InChIInChI=1S/C14H28N2O/c1-3-8-15-9-4-5-10-16-11-6-14(7-12-16)13-17-2/h6,15H,3-5,7-13H2,1-2H3
InChIKeyIOGTYUOQPGLENA-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine?
The IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine (CID 114413488) is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine.
What is the SMILES notation for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine?
The canonical SMILES for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine is CCCNCCCCN1CC=C(COC)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine?
The InChIKey is IOGTYUOQPGLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-8-15-9-4-5-10-16-11-6-14(7-12-16)13-17-2/h6,15H,3-5,7-13H2,1-2H3.
What are the key properties of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine?
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine is sourced from PubChem (CID 114413488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).