2-[bis(hex-3-enyl)amino]ethanol

C14H27NO — CID 54039173

IUPAC2-[bis(hex-3-enyl)amino]ethanol
SMILESCCC=CCCN(CCO)CCC=CCC
InChIInChI=1S/C14H27NO/c1-3-5-7-9-11-15(13-14-16)12-10-8-6-4-2/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyLLCOUXGHSOVOOC-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds10

About 2-[bis(hex-3-enyl)amino]ethanol

2-[bis(hex-3-enyl)amino]ethanol (PubChem CID 54039173) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[bis(hex-3-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(hex-3-enyl)amino]ethanol
PubChem CID54039173
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[bis(hex-3-enyl)amino]ethanol
SMILESCCC=CCCN(CCO)CCC=CCC
InChIInChI=1S/C14H27NO/c1-3-5-7-9-11-15(13-14-16)12-10-8-6-4-2/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyLLCOUXGHSOVOOC-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
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(octa-3,5-dienyl)amino]ethanol
CID 87095699
2-[ethyl(octa-3,7-dienyl)amino]ethanol
CID 87095832
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
N-hex-3-enyl-N-methylhydroxylamine;hydrochloride
CID 174500542
2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol
CID 87291099
(Z)-hept-4-en-1-ol
CID 5367536
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
2-[methyl-[(Z)-pent-2-enyl]amino]ethanol
CID 90058860
2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol
CID 88917828
2-[2-hydroxyethyl(octadec-9-enyl)amino]ethanol;phosphorous acid
CID 173340696
2-[[(9Z,12Z)-octadeca-9,12-dienyl]-octylamino]ethanol
CID 155275750
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570

Frequently Asked Questions

What is the IUPAC name of 2-[bis(hex-3-enyl)amino]ethanol?
The IUPAC name of 2-[bis(hex-3-enyl)amino]ethanol (CID 54039173) is 2-[bis(hex-3-enyl)amino]ethanol.
What is the SMILES notation for 2-[bis(hex-3-enyl)amino]ethanol?
The canonical SMILES for 2-[bis(hex-3-enyl)amino]ethanol is CCC=CCCN(CCO)CCC=CCC.
What is the InChIKey of 2-[bis(hex-3-enyl)amino]ethanol?
The InChIKey is LLCOUXGHSOVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-7-9-11-15(13-14-16)12-10-8-6-4-2/h5-8,16H,3-4,9-14H2,1-2H3.
What are the key properties of 2-[bis(hex-3-enyl)amino]ethanol?
2-[bis(hex-3-enyl)amino]ethanol has a molecular weight of 225.38 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(hex-3-enyl)amino]ethanol is sourced from PubChem (CID 54039173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).