2-[2-ethylhexyl(prop-2-enyl)amino]ethanol

C13H27NO — CID 104627908

IUPAC2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC(CC)CCCC
InChIInChI=1S/C13H27NO/c1-4-7-8-13(6-3)12-14(9-5-2)10-11-15/h5,13,15H,2,4,6-12H2,1,3H3
InChIKeySLCSILMYECBPDW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds10

About 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol

2-[2-ethylhexyl(prop-2-enyl)amino]ethanol (PubChem CID 104627908) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
PubChem CID104627908
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC(CC)CCCC
InChIInChI=1S/C13H27NO/c1-4-7-8-13(6-3)12-14(9-5-2)10-11-15/h5,13,15H,2,4,6-12H2,1,3H3
InChIKeySLCSILMYECBPDW-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
CID 88673133
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 175041251
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
2-[benzyl(2-ethylhexyl)amino]ethanol
CID 55192095
2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
CID 55191905
ethane-1,2-diol;2-ethylhexan-1-ol;prop-1-ene
CID 139528593
5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
(4S)-4-ethyloct-1-ene
CID 129373406

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol (CID 104627908) is 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CC(CC)CCCC.
What is the InChIKey of 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol?
The InChIKey is SLCSILMYECBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-8-13(6-3)12-14(9-5-2)10-11-15/h5,13,15H,2,4,6-12H2,1,3H3.
What are the key properties of 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol?
2-[2-ethylhexyl(prop-2-enyl)amino]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylhexyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 104627908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).