2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol

C13H22N2O — CID 177140197

IUPAC2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)NC(C)c1ccc(C(C)(C)O)nc1
InChIInChI=1S/C13H22N2O/c1-9(2)15-10(3)11-6-7-12(14-8-11)13(4,5)16/h6-10,15-16H,1-5H3
InChIKeyJBDISKXBMOUZSI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.37
Rot. Bonds4

About 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol

2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol (PubChem CID 177140197) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol
PubChem CID177140197
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)NC(C)c1ccc(C(C)(C)O)nc1
InChIInChI=1S/C13H22N2O/c1-9(2)15-10(3)11-6-7-12(14-8-11)13(4,5)16/h6-10,15-16H,1-5H3
InChIKeyJBDISKXBMOUZSI-UHFFFAOYSA-N
XLogP2.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
CID 155384095
(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 159800437
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride
CID 158478724
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine
CID 138506536
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
CID 135234346
2-oxo-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1H-pyridine-4-carboxamide
CID 155955914
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane
CID 160502739
5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one
CID 167903361
5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol
CID 159960956

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol (CID 177140197) is 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol is CC(C)NC(C)c1ccc(C(C)(C)O)nc1.
What is the InChIKey of 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol?
The InChIKey is JBDISKXBMOUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)15-10(3)11-6-7-12(14-8-11)13(4,5)16/h6-10,15-16H,1-5H3.
What are the key properties of 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol?
2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 177140197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).