(2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine

C13H20N2O — CID 132588869

IUPAC(2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine
SMILESCCOc1cnc(C2CCCC2)cc1CN
InChIInChI=1S/C13H20N2O/c1-2-16-13-9-15-12(7-11(13)8-14)10-5-3-4-6-10/h7,9-10H,2-6,8,14H2,1H3
InChIKeyDKVRNUWBQPPOBJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.60
Rot. Bonds4

About (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine

(2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine (PubChem CID 132588869) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine
PubChem CID132588869
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine
SMILESCCOc1cnc(C2CCCC2)cc1CN
InChIInChI=1S/C13H20N2O/c1-2-16-13-9-15-12(7-11(13)8-14)10-5-3-4-6-10/h7,9-10H,2-6,8,14H2,1H3
InChIKeyDKVRNUWBQPPOBJ-UHFFFAOYSA-N
XLogP2.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine?
The IUPAC name of (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine (CID 132588869) is (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine.
What is the SMILES notation for (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine?
The canonical SMILES for (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine is CCOc1cnc(C2CCCC2)cc1CN.
What is the InChIKey of (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine?
The InChIKey is DKVRNUWBQPPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-16-13-9-15-12(7-11(13)8-14)10-5-3-4-6-10/h7,9-10H,2-6,8,14H2,1H3.
What are the key properties of (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine?
(2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-5-ethoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 132588869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).