[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine

C13H20N2O2 — CID 62895887

IUPAC[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1COCC1CCCCO1
InChIInChI=1S/C13H20N2O2/c14-8-13-11(4-3-6-15-13)9-16-10-12-5-1-2-7-17-12/h3-4,6,12H,1-2,5,7-10,14H2
InChIKeyPCEGYFQXWFPPTP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.63
Rot. Bonds5

About [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine

[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine (PubChem CID 62895887) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
PubChem CID62895887
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1COCC1CCCCO1
InChIInChI=1S/C13H20N2O2/c14-8-13-11(4-3-6-15-13)9-16-10-12-5-1-2-7-17-12/h3-4,6,12H,1-2,5,7-10,14H2
InChIKeyPCEGYFQXWFPPTP-UHFFFAOYSA-N
XLogP1.63
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
CID 62920439
[3-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62443550
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
[3-(oxolan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444972
[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62445276
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
2-nitro-6-(oxan-2-ylmethoxymethyl)aniline
CID 107352211
2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594265
[4-(oxan-2-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62463960
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594076

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine (CID 62895887) is [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine is NCc1ncccc1COCC1CCCCO1.
What is the InChIKey of [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine?
The InChIKey is PCEGYFQXWFPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-8-13-11(4-3-6-15-13)9-16-10-12-5-1-2-7-17-12/h3-4,6,12H,1-2,5,7-10,14H2.
What are the key properties of [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine?
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine has a molecular weight of 236.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62895887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).