[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine

C14H22N2O — CID 65052254

IUPAC[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCc2cccnc2)C1
InChIInChI=1S/C14H22N2O/c1-12-4-2-6-14(8-12,11-15)17-10-13-5-3-7-16-9-13/h3,5,7,9,12H,2,4,6,8,10-11,15H2,1H3
InChIKeyORVDRGMBUWJOCY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds4

About [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine

[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine (PubChem CID 65052254) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine
PubChem CID65052254
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCc2cccnc2)C1
InChIInChI=1S/C14H22N2O/c1-12-4-2-6-14(8-12,11-15)17-10-13-5-3-7-16-9-13/h3,5,7,9,12H,2,4,6,8,10-11,15H2,1H3
InChIKeyORVDRGMBUWJOCY-UHFFFAOYSA-N
XLogP2.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine
CID 65052350
[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 82832048
3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 104735858
[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 63932832
3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylcyclohexyl]methanamine
CID 65052202
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
CID 66417314
N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
[1-[(1-ethylpyrazol-4-yl)methoxy]-3-methylcyclopentyl]methanamine
CID 65051683
[3-methyl-1-(2-pyridin-3-ylethylamino)cyclohexyl]methanol
CID 63265044
[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine
CID 65050486

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine (CID 65052254) is [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine is CC1CCCC(CN)(OCc2cccnc2)C1.
What is the InChIKey of [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine?
The InChIKey is ORVDRGMBUWJOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-4-2-6-14(8-12,11-15)17-10-13-5-3-7-16-9-13/h3,5,7,9,12H,2,4,6,8,10-11,15H2,1H3.
What are the key properties of [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine?
[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).