[1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine

C13H20N2O — CID 117051362

IUPAC[1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine
SMILESNCC1(COc2ccncc2)CCCCC1
InChIInChI=1S/C13H20N2O/c14-10-13(6-2-1-3-7-13)11-16-12-4-8-15-9-5-12/h4-5,8-9H,1-3,6-7,10-11,14H2
InChIKeyMVOXSJKHKWROOX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds4

About [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine

[1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine (PubChem CID 117051362) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine
PubChem CID117051362
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine
SMILESNCC1(COc2ccncc2)CCCCC1
InChIInChI=1S/C13H20N2O/c14-10-13(6-2-1-3-7-13)11-16-12-4-8-15-9-5-12/h4-5,8-9H,1-3,6-7,10-11,14H2
InChIKeyMVOXSJKHKWROOX-UHFFFAOYSA-N
XLogP2.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzyloxy)pyridine N-oxide
CID 295871
(4-Ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 834002
4-(4-Butoxy-phenyl)-pyridine
CID 11322127
[2-(Cyclohexyloxy)pyridin-4-yl]methanamine
CID 16780874
[2-(Benzyloxy)pyridin-4-yl]methanamine
CID 16784226
(2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2958593
N-{2-[(2-fluorobenzyl)oxy]benzyl}-N-(4-pyridinylmethyl)amine
CID 2982591
4-[[1-(Cyclopropylmethyl)piperidin-4-yl]methoxy]pyridine;hydrate
CID 44358006
N-methyl-1-[6-methyl-4-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 44453093
4-[[3-[(3-Chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
CID 155565617
N-[3-(allyloxy)benzyl]-N-(4-pyridinylmethyl)amine
CID 1814928
N-(3-ethoxybenzyl)-N-(4-pyridinylmethyl)amine
CID 2227150

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine (CID 117051362) is [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine is NCC1(COc2ccncc2)CCCCC1.
What is the InChIKey of [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine?
The InChIKey is MVOXSJKHKWROOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-10-13(6-2-1-3-7-13)11-16-12-4-8-15-9-5-12/h4-5,8-9H,1-3,6-7,10-11,14H2.
What are the key properties of [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine?
[1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine is sourced from PubChem (CID 117051362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).