2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol

C12H19N3O — CID 104869537

IUPAC2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1ccc([C@H](C)N)cn1
InChIInChI=1S/C12H19N3O/c1-3-6-15(7-8-16)12-5-4-11(9-14-12)10(2)13/h3-5,9-10,16H,1,6-8,13H2,2H3/t10-/m0/s1
InChIKeyRKIQQEBPNWDUHH-JTQLQIEISA-N
MW221.30 g/mol
LogP1.09
Rot. Bonds6

About 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol

2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol (PubChem CID 104869537) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
PubChem CID104869537
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1ccc([C@H](C)N)cn1
InChIInChI=1S/C12H19N3O/c1-3-6-15(7-8-16)12-5-4-11(9-14-12)10(2)13/h3-5,9-10,16H,1,6-8,13H2,2H3/t10-/m0/s1
InChIKeyRKIQQEBPNWDUHH-JTQLQIEISA-N
XLogP1.09
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.09
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

(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
CID 104869570
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine
CID 104869689
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 104552403
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
1-(6-ethenyl-3-pyridinyl)ethanamine
CID 74788745
2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 114927139
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863989
2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
CID 104869538
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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol (CID 104869537) is 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol is C=CCN(CCO)c1ccc([C@H](C)N)cn1.
What is the InChIKey of 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol?
The InChIKey is RKIQQEBPNWDUHH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-15(7-8-16)12-5-4-11(9-14-12)10(2)13/h3-5,9-10,16H,1,6-8,13H2,2H3/t10-/m0/s1.
What are the key properties of 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol?
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol is sourced from PubChem (CID 104869537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).