2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol

C13H21N3O — CID 113367679

IUPAC2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
SMILESCNc1cc(N(CCO)C2CCCC2)ccn1
InChIInChI=1S/C13H21N3O/c1-14-13-10-12(6-7-15-13)16(8-9-17)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyKALVXMZQGWMAAZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds5

About 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol

2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol (PubChem CID 113367679) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
PubChem CID113367679
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
SMILESCNc1cc(N(CCO)C2CCCC2)ccn1
InChIInChI=1S/C13H21N3O/c1-14-13-10-12(6-7-15-13)16(8-9-17)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyKALVXMZQGWMAAZ-UHFFFAOYSA-N
XLogP1.86
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol
CID 102868917
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol
CID 102870554
2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
CID 54994543
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646
[4-[cyclopentyl(ethyl)amino]-2-pyridinyl]methanol
CID 61257275
4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471655
2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 107495109
2-[cyclohexyl-[6-(methylamino)pyrazin-2-yl]amino]ethanol
CID 80811054
N-cyclobutyl-N-(3-hydroxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 102870330

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol (CID 113367679) is 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol is CNc1cc(N(CCO)C2CCCC2)ccn1.
What is the InChIKey of 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol?
The InChIKey is KALVXMZQGWMAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-13-10-12(6-7-15-13)16(8-9-17)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol?
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol is sourced from PubChem (CID 113367679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).