1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol

C13H22N2O2 — CID 112585320

IUPAC1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
SMILESCCCN(CCO)c1ccc(C(O)CC)nc1
InChIInChI=1S/C13H22N2O2/c1-3-7-15(8-9-16)11-5-6-12(14-10-11)13(17)4-2/h5-6,10,13,16-17H,3-4,7-9H2,1-2H3
InChIKeySPJUDBHAPCNIHF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds7

About 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol

1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 112585320) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID112585320
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
SMILESCCCN(CCO)c1ccc(C(O)CC)nc1
InChIInChI=1S/C13H22N2O2/c1-3-7-15(8-9-16)11-5-6-12(14-10-11)13(17)4-2/h5-6,10,13,16-17H,3-4,7-9H2,1-2H3
InChIKeySPJUDBHAPCNIHF-UHFFFAOYSA-N
XLogP1.73
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 112585490
(1S)-1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 103938925
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938619
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355353
N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 83123025

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol (CID 112585320) is 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol is CCCN(CCO)c1ccc(C(O)CC)nc1.
What is the InChIKey of 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is SPJUDBHAPCNIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-7-15(8-9-16)11-5-6-12(14-10-11)13(17)4-2/h5-6,10,13,16-17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol?
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).