2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol

C12H18N2O — CID 115631710

IUPAC2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol
SMILESC=CCN(CCO)CCc1cccnc1
InChIInChI=1S/C12H18N2O/c1-2-7-14(9-10-15)8-5-12-4-3-6-13-11-12/h2-4,6,11,15H,1,5,7-10H2
InChIKeyMBANVZQLWWLYIH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds7

About 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol

2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol (PubChem CID 115631710) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol
PubChem CID115631710
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol
SMILESC=CCN(CCO)CCc1cccnc1
InChIInChI=1S/C12H18N2O/c1-2-7-14(9-10-15)8-5-12-4-3-6-13-11-12/h2-4,6,11,15H,1,5,7-10H2
InChIKeyMBANVZQLWWLYIH-UHFFFAOYSA-N
XLogP1.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

argon;2-pyridin-3-ylethanol
CID 159015973
N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine
CID 138435785
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
4-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 111423438
8-pyridin-3-yloctan-1-ol
CID 11830623
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]but-2-enoic acid
CID 115237374
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
CID 113237465
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol?
The IUPAC name of 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol (CID 115631710) is 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol.
What is the SMILES notation for 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol?
The canonical SMILES for 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol is C=CCN(CCO)CCc1cccnc1.
What is the InChIKey of 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol?
The InChIKey is MBANVZQLWWLYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-7-14(9-10-15)8-5-12-4-3-6-13-11-12/h2-4,6,11,15H,1,5,7-10H2.
What are the key properties of 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol?
2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(2-pyridin-3-ylethyl)amino]ethanol is sourced from PubChem (CID 115631710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).