2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol

C19H31NO — CID 171119784

IUPAC2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol
SMILESCC/C=C\C#CC#CCCCCCCCCN(C)CCO
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)18-19-21/h4-5,21H,3,10-19H2,1-2H3/b5-4-
InChIKeyFXICUPVRYGKJLQ-PLNGDYQASA-N
MW289.46 g/mol
LogP3.61
Rot. Bonds11

About 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol

2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol (PubChem CID 171119784) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol
PubChem CID171119784
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol
SMILESCC/C=C\C#CC#CCCCCCCCCN(C)CCO
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)18-19-21/h4-5,21H,3,10-19H2,1-2H3/b5-4-
InChIKeyFXICUPVRYGKJLQ-PLNGDYQASA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-octadec-7-en-9,11-diyne
CID 101092836
(Z)-heptadec-3-en-5-yne
CID 5367448
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 5315864
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204
(E)-undec-3-en-5-yne
CID 5367449
N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine
CID 163107415
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
hexadeca-9,11-diyn-1-ol
CID 24975633

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol?
The IUPAC name of 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol (CID 171119784) is 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol is CC/C=C\C#CC#CCCCCCCCCN(C)CCO.
What is the InChIKey of 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol?
The InChIKey is FXICUPVRYGKJLQ-PLNGDYQASA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)18-19-21/h4-5,21H,3,10-19H2,1-2H3/b5-4-.
What are the key properties of 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol?
2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol has a molecular weight of 289.46 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-hexadec-13-en-9,11-diynyl]-methylamino]ethanol is sourced from PubChem (CID 171119784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).