2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol

C23H47NO2 — CID 87291099

IUPAC2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCCN(CCO)CCO
InChIInChI=1S/C23H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(20-22-25)21-23-26/h9-10,25-26H,2-8,11-23H2,1H3/b10-9-
InChIKeyINUWQOOLZFFEOE-KTKRTIGZSA-N
MW369.63 g/mol
LogP5.70
Rot. Bonds21

About 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol

2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol (PubChem CID 87291099) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol
PubChem CID87291099
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC Name2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCCN(CCO)CCO
InChIInChI=1S/C23H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(20-22-25)21-23-26/h9-10,25-26H,2-8,11-23H2,1H3/b10-9-
InChIKeyINUWQOOLZFFEOE-KTKRTIGZSA-N
XLogP5.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(octadec-9-enyl)amino]ethanol;phosphorous acid
CID 173340696
2-[[(9Z,12Z)-octadeca-9,12-dienyl]-octylamino]ethanol
CID 155275750
3-[bis[(Z)-octadec-9-enyl]amino]propan-1-ol;hydrochloride
CID 175960878
(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
3-[bis(icosa-11,14-dienyl)amino]propan-1-ol
CID 123864221
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl-methylamino]ethanol
CID 164814017
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
CID 166791794

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol (CID 87291099) is 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol is CCCCCCCC/C=C\CCCCCCCCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol?
The InChIKey is INUWQOOLZFFEOE-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(20-22-25)21-23-26/h9-10,25-26H,2-8,11-23H2,1H3/b10-9-.
What are the key properties of 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol?
2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol has a molecular weight of 369.63 g/mol, XLogP of 5.70, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol is sourced from PubChem (CID 87291099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).