[6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine

C14H22N2O — CID 106907655

IUPAC[6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine
SMILESCC1CCCCC1OCc1cccc(CN)n1
InChIInChI=1S/C14H22N2O/c1-11-5-2-3-8-14(11)17-10-13-7-4-6-12(9-15)16-13/h4,6-7,11,14H,2-3,5,8-10,15H2,1H3
InChIKeyXDDMZMMEKBOZPU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.64
Rot. Bonds4

About [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine

[6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine (PubChem CID 106907655) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine
PubChem CID106907655
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine
SMILESCC1CCCCC1OCc1cccc(CN)n1
InChIInChI=1S/C14H22N2O/c1-11-5-2-3-8-14(11)17-10-13-7-4-6-12(9-15)16-13/h4,6-7,11,14H,2-3,5,8-10,15H2,1H3
InChIKeyXDDMZMMEKBOZPU-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine (CID 106907655) is [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine is CC1CCCCC1OCc1cccc(CN)n1.
What is the InChIKey of [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine?
The InChIKey is XDDMZMMEKBOZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-2-3-8-14(11)17-10-13-7-4-6-12(9-15)16-13/h4,6-7,11,14H,2-3,5,8-10,15H2,1H3.
What are the key properties of [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine?
[6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106907655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).