[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine

C13H20N2O — CID 81254856

IUPAC[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine
SMILESCC1CCCCC1Oc1ccncc1CN
InChIInChI=1S/C13H20N2O/c1-10-4-2-3-5-12(10)16-13-6-7-15-9-11(13)8-14/h6-7,9-10,12H,2-5,8,14H2,1H3
InChIKeyHWWUJVPIELWIOM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.50
Rot. Bonds3

About [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine

[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine (PubChem CID 81254856) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine
PubChem CID81254856
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine
SMILESCC1CCCCC1Oc1ccncc1CN
InChIInChI=1S/C13H20N2O/c1-10-4-2-3-5-12(10)16-13-6-7-15-9-11(13)8-14/h6-7,9-10,12H,2-5,8,14H2,1H3
InChIKeyHWWUJVPIELWIOM-UHFFFAOYSA-N
XLogP2.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 81254393
4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid
CID 81228628
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83189352
N-[[4-(2-ethylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81254183
[4-(2-cyclobutylethoxy)-3-pyridinyl]methanamine
CID 106205679
[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine
CID 132587623
[4-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]methanamine
CID 97053137
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
3-fluoro-4-(2-methylcyclohexyl)oxyaniline
CID 43123610
1-methyl-2-(2-methylcyclohexyl)oxybenzene
CID 139448709
(4-cyclobutyl-3-pyridinyl)methanamine
CID 83914283

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The IUPAC name of [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine (CID 81254856) is [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine is CC1CCCCC1Oc1ccncc1CN.
What is the InChIKey of [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
The InChIKey is HWWUJVPIELWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-2-3-5-12(10)16-13-6-7-15-9-11(13)8-14/h6-7,9-10,12H,2-5,8,14H2,1H3.
What are the key properties of [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine?
[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 81254856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).