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

C13H24N2O — CID 114413049

IUPACN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CC=CCC2)O1
InChIInChI=1S/C13H24N2O/c1-2-14-10-12-6-7-13(16-12)11-15-8-4-3-5-9-15/h3-4,12-14H,2,5-11H2,1H3
InChIKeyAECBRGMHHULEFL-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds5

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

N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 114413049) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID114413049
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CC=CCC2)O1
InChIInChI=1S/C13H24N2O/c1-2-14-10-12-6-7-13(16-12)11-15-8-4-3-5-9-15/h3-4,12-14H,2,5-11H2,1H3
InChIKeyAECBRGMHHULEFL-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
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 N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine (CID 114413049) is N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CC=CCC2)O1.
What is the InChIKey of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is AECBRGMHHULEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-14-10-12-6-7-13(16-12)11-15-8-4-3-5-9-15/h3-4,12-14H,2,5-11H2,1H3.
What are the key properties of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 114413049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).