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

C13H26N2O — CID 114413518

IUPACN-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCCNCCCCN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-3-14-8-4-5-9-15-10-6-13(7-11-15)12-16-2/h6,14H,3-5,7-12H2,1-2H3
InChIKeyGSWAYXKWJLIJRZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds8

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

N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (PubChem CID 114413518) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
PubChem CID114413518
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCCNCCCCN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-3-14-8-4-5-9-15-10-6-13(7-11-15)12-16-2/h6,14H,3-5,7-12H2,1-2H3
InChIKeyGSWAYXKWJLIJRZ-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
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 N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The IUPAC name of N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (CID 114413518) is N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The canonical SMILES for N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is CCNCCCCN1CC=C(COC)CC1.
What is the InChIKey of N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The InChIKey is GSWAYXKWJLIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-14-8-4-5-9-15-10-6-13(7-11-15)12-16-2/h6,14H,3-5,7-12H2,1-2H3.
What are the key properties of N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is sourced from PubChem (CID 114413518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).