(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol

C12H18N2O2 — CID 104869570

IUPAC(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
SMILESC=CCN(CCO)c1ccc([C@@H](C)O)cn1
InChIInChI=1S/C12H18N2O2/c1-3-6-14(7-8-15)12-5-4-11(9-13-12)10(2)16/h3-5,9-10,15-16H,1,6-8H2,2H3/t10-/m1/s1
InChIKeyRRCYZPBMPHREPB-SNVBAGLBSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds6

About (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol

(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol (PubChem CID 104869570) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
PubChem CID104869570
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
SMILESC=CCN(CCO)c1ccc([C@@H](C)O)cn1
InChIInChI=1S/C12H18N2O2/c1-3-6-14(7-8-15)12-5-4-11(9-13-12)10(2)16/h3-5,9-10,15-16H,1,6-8H2,2H3/t10-/m1/s1
InChIKeyRRCYZPBMPHREPB-SNVBAGLBSA-N
XLogP1.12
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 104869537
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
CID 107200886
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 114927139
2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 115875659
1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 114066920
2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104864024
2-[cyclobutyl-[5-[1-(ethylamino)ethyl]-2-pyridinyl]amino]ethanol
CID 102863556
2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol
CID 104843952

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol (CID 104869570) is (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol is C=CCN(CCO)c1ccc([C@@H](C)O)cn1.
What is the InChIKey of (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol?
The InChIKey is RRCYZPBMPHREPB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-6-14(7-8-15)12-5-4-11(9-13-12)10(2)16/h3-5,9-10,15-16H,1,6-8H2,2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol?
(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol has a molecular weight of 222.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 104869570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).