N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine

C15H28N2O2 — CID 114413499

IUPACN-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CC=C(COC)CC2)O1
InChIInChI=1S/C15H28N2O2/c1-3-16-10-14-4-5-15(19-14)11-17-8-6-13(7-9-17)12-18-2/h6,14-16H,3-5,7-12H2,1-2H3
InChIKeyBSHOOHXYTYUHLO-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.42
Rot. Bonds7

About N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine

N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 114413499) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID114413499
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CC=C(COC)CC2)O1
InChIInChI=1S/C15H28N2O2/c1-3-16-10-14-4-5-15(19-14)11-17-8-6-13(7-9-17)12-18-2/h6,14-16H,3-5,7-12H2,1-2H3
InChIKeyBSHOOHXYTYUHLO-UHFFFAOYSA-N
XLogP1.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine (CID 114413499) is N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CC=C(COC)CC2)O1.
What is the InChIKey of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is BSHOOHXYTYUHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-16-10-14-4-5-15(19-14)11-17-8-6-13(7-9-17)12-18-2/h6,14-16H,3-5,7-12H2,1-2H3.
What are the key properties of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 114413499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).