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

C13H20N2O — CID 65401361

IUPAC2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol
SMILESCC1CCC(C(O)Cc2ccnc(N)c2)C1
InChIInChI=1S/C13H20N2O/c1-9-2-3-11(6-9)12(16)7-10-4-5-15-13(14)8-10/h4-5,8-9,11-12,16H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyYBTVIRPDNQSLBP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds3

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

2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol (PubChem CID 65401361) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol
PubChem CID65401361
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol
SMILESCC1CCC(C(O)Cc2ccnc(N)c2)C1
InChIInChI=1S/C13H20N2O/c1-9-2-3-11(6-9)12(16)7-10-4-5-15-13(14)8-10/h4-5,8-9,11-12,16H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyYBTVIRPDNQSLBP-UHFFFAOYSA-N
XLogP2.00
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 69083506
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CID 21876349
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CID 23058258
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CID 64088783
CID 64088783
CID 79570812
CID 79570812
CID 56909726
CID 56909726
CID 128414
CID 128414
CID 130050
CID 130050
CID 45788787
CID 45788787
CID 64133200
CID 64133200
CID 183821
CID 183821
CID 70749084
CID 70749084

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol (CID 65401361) is 2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol is CC1CCC(C(O)Cc2ccnc(N)c2)C1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol?
The InChIKey is YBTVIRPDNQSLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-2-3-11(6-9)12(16)7-10-4-5-15-13(14)8-10/h4-5,8-9,11-12,16H,2-3,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol?
2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol has a molecular weight of 220.32 g/mol, XLogP of 2.00, 3 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-methylcyclopentyl)ethanol is sourced from PubChem (CID 65401361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).