actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol

C10H21Ac2NO2 — CID 21027129

IUPACactinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
SMILESCC(C)/C=C/CN(CCO)CCO.[Ac].[Ac]
InChIInChI=1S/C10H21NO2.2Ac/c1-10(2)4-3-5-11(6-8-12)7-9-13;;/h3-4,10,12-13H,5-9H2,1-2H3;;/b4-3+;;
InChIKeyHNXANQNLJOHZEL-CZEFNJPISA-N
MW641.28 g/mol
LogP0.49
Rot. Bonds7

About actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol

actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol (PubChem CID 21027129) has the molecular formula C10H21Ac2NO2 and a molecular weight of 641.28 g/mol. Its IUPAC name is actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol.

Molecular Properties

Compound Nameactinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
PubChem CID21027129
Molecular FormulaC10H21Ac2NO2
Molecular Weight641.28 g/mol
Exact Mass641.21
IUPAC Nameactinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
SMILESCC(C)/C=C/CN(CCO)CCO.[Ac].[Ac]
InChIInChI=1S/C10H21NO2.2Ac/c1-10(2)4-3-5-11(6-8-12)7-9-13;;/h3-4,10,12-13H,5-9H2,1-2H3;;/b4-3+;;
InChIKeyHNXANQNLJOHZEL-CZEFNJPISA-N
XLogP0.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[(E)-hex-3-enyl]amino]ethanol
CID 20336956
2-[2-Ethenylbut-3-enyl(2-hydroxyethyl)amino]ethanol
CID 20828048
2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol
CID 21027130
2-[methyl-[(2E)-octa-2,7-dienyl]amino]ethanol
CID 24764248
2-[Bis(hex-3-enyl)amino]ethanol
CID 54039173
But-2-enyl-tris(2-hydroxyethyl)azanium
CID 57018533
2-Hydroxyethyl-tris(pent-2-enyl)azanium
CID 57160331
2-[[(E)-4,4-dimethylpent-2-enyl]-methylamino]ethanol
CID 58223245
ethyl-(2-hydroxyethyl)-methyl-[(Z)-pent-2-enyl]azanium
CID 59873879
2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol
CID 62022286
(Methyl(octa-2,7-dienyl)amino)ethanol
CID 86653890
2-[Methyl(octa-2,7-dienyl)amino]ethanol
CID 87090792

Frequently Asked Questions

What is the IUPAC name of actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol?
The IUPAC name of actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol (CID 21027129) is actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol.
What is the SMILES notation for actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol?
The canonical SMILES for actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol is CC(C)/C=C/CN(CCO)CCO.[Ac].[Ac].
What is the InChIKey of actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol?
The InChIKey is HNXANQNLJOHZEL-CZEFNJPISA-N. The full InChI is InChI=1S/C10H21NO2.2Ac/c1-10(2)4-3-5-11(6-8-12)7-9-13;;/h3-4,10,12-13H,5-9H2,1-2H3;;/b4-3+;;.
What are the key properties of actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol?
actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol has a molecular weight of 641.28 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-[2-hydroxyethyl-[(E)-4-methylpent-2-enyl]amino]ethanol is sourced from PubChem (CID 21027129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).