3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol

C13H22N2O2 — CID 114055963

IUPAC3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ncccc1[C@H](C)O
InChIInChI=1S/C13H22N2O2/c1-10(2)15(8-5-9-16)13-12(11(3)17)6-4-7-14-13/h4,6-7,10-11,16-17H,5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyGXXXXOYITQAOKS-NSHDSACASA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds6

About 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol

3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol (PubChem CID 114055963) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
PubChem CID114055963
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ncccc1[C@H](C)O
InChIInChI=1S/C13H22N2O2/c1-10(2)15(8-5-9-16)13-12(11(3)17)6-4-7-14-13/h4,6-7,10-11,16-17H,5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyGXXXXOYITQAOKS-NSHDSACASA-N
XLogP1.73
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
CID 114055969
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
CID 114056004
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
3-[3-hydroxypropyl(propan-2-yl)amino]pyrazine-2-carbothioamide
CID 62684968
3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388310
1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol
CID 106541399
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol (CID 114055963) is 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1ncccc1[C@H](C)O.
What is the InChIKey of 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol?
The InChIKey is GXXXXOYITQAOKS-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)15(8-5-9-16)13-12(11(3)17)6-4-7-14-13/h4,6-7,10-11,16-17H,5,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol?
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 114055963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).