[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine

C12H18N2O — CID 117045767

IUPAC[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine
SMILESCC1(Oc2ncccc2CN)CCCC1
InChIInChI=1S/C12H18N2O/c1-12(6-2-3-7-12)15-11-10(9-13)5-4-8-14-11/h4-5,8H,2-3,6-7,9,13H2,1H3
InChIKeyOEMIJZYJQNKNKY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.25
Rot. Bonds3

About [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine

[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine (PubChem CID 117045767) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine
PubChem CID117045767
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine
SMILESCC1(Oc2ncccc2CN)CCCC1
InChIInChI=1S/C12H18N2O/c1-12(6-2-3-7-12)15-11-10(9-13)5-4-8-14-11/h4-5,8H,2-3,6-7,9,13H2,1H3
InChIKeyOEMIJZYJQNKNKY-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine?
The IUPAC name of [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine (CID 117045767) is [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine is CC1(Oc2ncccc2CN)CCCC1.
What is the InChIKey of [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine?
The InChIKey is OEMIJZYJQNKNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(6-2-3-7-12)15-11-10(9-13)5-4-8-14-11/h4-5,8H,2-3,6-7,9,13H2,1H3.
What are the key properties of [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine?
[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 117045767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).