N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine

C13H20N2O2 — CID 83235465

IUPACN-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
SMILESCOc1cc(C)nc(CNOC2CCCC2)c1
InChIInChI=1S/C13H20N2O2/c1-10-7-13(16-2)8-11(15-10)9-14-17-12-5-3-4-6-12/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyVQMAKRVFURCJCK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.36
Rot. Bonds5

About N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine

N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine (PubChem CID 83235465) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
PubChem CID83235465
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
SMILESCOc1cc(C)nc(CNOC2CCCC2)c1
InChIInChI=1S/C13H20N2O2/c1-10-7-13(16-2)8-11(15-10)9-14-17-12-5-3-4-6-12/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyVQMAKRVFURCJCK-UHFFFAOYSA-N
XLogP2.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-1-(3,5-dimethoxyphenyl)methanamine
CID 83229472
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-methylcyclopentan-1-amine
CID 82892831
2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365284
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
2-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 82893823
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82893078
3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane
CID 104680701
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-amine
CID 114545775
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103933097
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 82893003
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 82893205

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine (CID 83235465) is N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine is COc1cc(C)nc(CNOC2CCCC2)c1.
What is the InChIKey of N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine?
The InChIKey is VQMAKRVFURCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-7-13(16-2)8-11(15-10)9-14-17-12-5-3-4-6-12/h7-8,12,14H,3-6,9H2,1-2H3.
What are the key properties of N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine?
N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine has a molecular weight of 236.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 83235465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).