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

C13H20N2O — CID 43126965

IUPAC[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
SMILESCC1CCCC(Oc2cc(CN)ccn2)C1
InChIInChI=1S/C13H20N2O/c1-10-3-2-4-12(7-10)16-13-8-11(9-14)5-6-15-13/h5-6,8,10,12H,2-4,7,9,14H2,1H3
InChIKeyXZJVUWGPHXZAGW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.50
Rot. Bonds3

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

[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine (PubChem CID 43126965) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
PubChem CID43126965
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
SMILESCC1CCCC(Oc2cc(CN)ccn2)C1
InChIInChI=1S/C13H20N2O/c1-10-3-2-4-12(7-10)16-13-8-11(9-14)5-6-15-13/h5-6,8,10,12H,2-4,7,9,14H2,1H3
InChIKeyXZJVUWGPHXZAGW-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

[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
CID 159598247
2-cyclobutyloxy-4-ethylpyridine
CID 118553785
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 105390958
3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea
CID 112835458
[2-(cycloheptylmethoxy)-4-pyridinyl]methanamine
CID 114247934
[3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine
CID 103566012
[6-(3-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 61256970
2-cyclopentyloxy-4-methylpyridine
CID 18779821
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919958
[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone
CID 122516201

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine (CID 43126965) is [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine is CC1CCCC(Oc2cc(CN)ccn2)C1.
What is the InChIKey of [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine?
The InChIKey is XZJVUWGPHXZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-3-2-4-12(7-10)16-13-8-11(9-14)5-6-15-13/h5-6,8,10,12H,2-4,7,9,14H2,1H3.
What are the key properties of [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine?
[2-(3-methylcyclohexyl)oxy-4-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 [2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 43126965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).