(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine

C12H18N2O — CID 103695133

IUPAC(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cccnc1OC1CCCC1
InChIInChI=1S/C12H18N2O/c1-9(13)11-7-4-8-14-12(11)15-10-5-2-3-6-10/h4,7-10H,2-3,5-6,13H2,1H3/t9-/m0/s1
InChIKeyKAOGXMGKXVZHOI-VIFPVBQESA-N
MW206.29 g/mol
LogP2.42
Rot. Bonds3

About (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine

(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine (PubChem CID 103695133) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
PubChem CID103695133
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cccnc1OC1CCCC1
InChIInChI=1S/C12H18N2O/c1-9(13)11-7-4-8-14-12(11)15-10-5-2-3-6-10/h4,7-10H,2-3,5-6,13H2,1H3/t9-/m0/s1
InChIKeyKAOGXMGKXVZHOI-VIFPVBQESA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine (CID 103695133) is (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine is C[C@H](N)c1cccnc1OC1CCCC1.
What is the InChIKey of (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine?
The InChIKey is KAOGXMGKXVZHOI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(13)11-7-4-8-14-12(11)15-10-5-2-3-6-10/h4,7-10H,2-3,5-6,13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine?
(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine has a molecular weight of 206.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 103695133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).