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

C13H20N2O2 — CID 103938569

IUPAC(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(CCO)C2CC2)cn1
InChIInChI=1S/C13H20N2O2/c1-2-13(17)12-6-5-11(9-14-12)15(7-8-16)10-3-4-10/h5-6,9-10,13,16-17H,2-4,7-8H2,1H3/t13-/m0/s1
InChIKeyCTXIEYHAIFONGQ-ZDUSSCGKSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds6

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

(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938569) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938569
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(CCO)C2CC2)cn1
InChIInChI=1S/C13H20N2O2/c1-2-13(17)12-6-5-11(9-14-12)15(7-8-16)10-3-4-10/h5-6,9-10,13,16-17H,2-4,7-8H2,1H3/t13-/m0/s1
InChIKeyCTXIEYHAIFONGQ-ZDUSSCGKSA-N
XLogP1.49
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol with MolForge

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Related Compounds

3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile
CID 103938579
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280
(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
CID 103938891
2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol
CID 115939423
2-[cyclopropyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]ethanol
CID 83122512
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300
(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
CID 103938894

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol (CID 103938569) is (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N(CCO)C2CC2)cn1.
What is the InChIKey of (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is CTXIEYHAIFONGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-13(17)12-6-5-11(9-14-12)15(7-8-16)10-3-4-10/h5-6,9-10,13,16-17H,2-4,7-8H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).