3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine

C12H18N2O — CID 79465425

IUPAC3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCc1ccc(OC2CCCC(N)C2)nc1
InChIInChI=1S/C12H18N2O/c1-9-5-6-12(14-8-9)15-11-4-2-3-10(13)7-11/h5-6,8,10-11H,2-4,7,13H2,1H3
InChIKeyZUSGLWWCMMPAJG-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.04
Rot. Bonds2

About 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine

3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 79465425) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID79465425
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCc1ccc(OC2CCCC(N)C2)nc1
InChIInChI=1S/C12H18N2O/c1-9-5-6-12(14-8-9)15-11-4-2-3-10(13)7-11/h5-6,8,10-11H,2-4,7,13H2,1H3
InChIKeyZUSGLWWCMMPAJG-UHFFFAOYSA-N
XLogP2.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine (CID 79465425) is 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine is Cc1ccc(OC2CCCC(N)C2)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is ZUSGLWWCMMPAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-5-6-12(14-8-9)15-11-4-2-3-10(13)7-11/h5-6,8,10-11H,2-4,7,13H2,1H3.
What are the key properties of 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine?
3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 79465425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).