[1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine

C12H18N2O — CID 115008877

IUPAC[1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine
SMILESCOc1cnccc1C1(CN)CCCC1
InChIInChI=1S/C12H18N2O/c1-15-11-8-14-7-4-10(11)12(9-13)5-2-3-6-12/h4,7-8H,2-3,5-6,9,13H2,1H3
InChIKeyRFWVPUROPMVXNZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.86
Rot. Bonds3

About [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine

[1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine (PubChem CID 115008877) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine
PubChem CID115008877
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine
SMILESCOc1cnccc1C1(CN)CCCC1
InChIInChI=1S/C12H18N2O/c1-15-11-8-14-7-4-10(11)12(9-13)5-2-3-6-12/h4,7-8H,2-3,5-6,9,13H2,1H3
InChIKeyRFWVPUROPMVXNZ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine (CID 115008877) is [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine is COc1cnccc1C1(CN)CCCC1.
What is the InChIKey of [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine?
The InChIKey is RFWVPUROPMVXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-11-8-14-7-4-10(11)12(9-13)5-2-3-6-12/h4,7-8H,2-3,5-6,9,13H2,1H3.
What are the key properties of [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine?
[1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-4-pyridinyl)cyclopentyl]methanamine is sourced from PubChem (CID 115008877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).