2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol

C14H22N2O — CID 65412111

IUPAC2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol
SMILESCCC1CCC(C(O)Cc2ccnc(N)c2)C1
InChIInChI=1S/C14H22N2O/c1-2-10-3-4-12(7-10)13(17)8-11-5-6-16-14(15)9-11/h5-6,9-10,12-13,17H,2-4,7-8H2,1H3,(H2,15,16)
InChIKeyATQSFFVBDVSMDZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.39
Rot. Bonds4

About 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol

2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol (PubChem CID 65412111) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol
PubChem CID65412111
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol
SMILESCCC1CCC(C(O)Cc2ccnc(N)c2)C1
InChIInChI=1S/C14H22N2O/c1-2-10-3-4-12(7-10)13(17)8-11-5-6-16-14(15)9-11/h5-6,9-10,12-13,17H,2-4,7-8H2,1H3,(H2,15,16)
InChIKeyATQSFFVBDVSMDZ-UHFFFAOYSA-N
XLogP2.39
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol (CID 65412111) is 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol is CCC1CCC(C(O)Cc2ccnc(N)c2)C1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol?
The InChIKey is ATQSFFVBDVSMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-10-3-4-12(7-10)13(17)8-11-5-6-16-14(15)9-11/h5-6,9-10,12-13,17H,2-4,7-8H2,1H3,(H2,15,16).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol?
2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol is sourced from PubChem (CID 65412111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).