N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine

C15H24N2O2 — CID 106907547

IUPACN-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COC2CCOCC2)n1
InChIInChI=1S/C15H24N2O2/c1-2-8-16-11-13-4-3-5-14(17-13)12-19-15-6-9-18-10-7-15/h3-5,15-16H,2,6-12H2,1H3
InChIKeyCUIGXCLHDUHEKV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds7

About N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106907547) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID106907547
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COC2CCOCC2)n1
InChIInChI=1S/C15H24N2O2/c1-2-8-16-11-13-4-3-5-14(17-13)12-19-15-6-9-18-10-7-15/h3-5,15-16H,2,6-12H2,1H3
InChIKeyCUIGXCLHDUHEKV-UHFFFAOYSA-N
XLogP2.28
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906637
2-chloro-6-(oxan-4-yloxymethyl)pyridine
CID 79243769
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
CID 140925195
6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
CID 106903338
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
CID 55054747
N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441066
2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
CID 154377158

Frequently Asked Questions

What is the IUPAC name of N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine (CID 106907547) is N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(COC2CCOCC2)n1.
What is the InChIKey of N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is CUIGXCLHDUHEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-8-16-11-13-4-3-5-14(17-13)12-19-15-6-9-18-10-7-15/h3-5,15-16H,2,6-12H2,1H3.
What are the key properties of N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106907547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).