(Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol

C20H39NO3 — CID 101275211

IUPAC(Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol
SMILESCCCCCCC/C(O)=C/N(/C=C(\O)CCCCCCC)CCO
InChIInChI=1S/C20H39NO3/c1-3-5-7-9-11-13-19(23)17-21(15-16-22)18-20(24)14-12-10-8-6-4-2/h17-18,22-24H,3-16H2,1-2H3/b19-17-,20-18-
InChIKeyATIYYUSNCHGOCI-CLFAGFIQSA-N
MW341.54 g/mol
LogP5.80
Rot. Bonds16

About (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol

(Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol (PubChem CID 101275211) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol
PubChem CID101275211
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name(Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol
SMILESCCCCCCC/C(O)=C/N(/C=C(\O)CCCCCCC)CCO
InChIInChI=1S/C20H39NO3/c1-3-5-7-9-11-13-19(23)17-21(15-16-22)18-20(24)14-12-10-8-6-4-2/h17-18,22-24H,3-16H2,1-2H3/b19-17-,20-18-
InChIKeyATIYYUSNCHGOCI-CLFAGFIQSA-N
XLogP5.80
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-pentadec-2-en-3-ol
CID 141060609
1-aminoheptacos-1-en-2-ol
CID 140665691
2-(dimethylamino)ethanol;octacosanoic acid
CID 71441848
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(tetradecanoylamino)propanoic acid
CID 86588604
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(iodo)amino]ethanol
CID 174670309
octatriacont-11-en-12-ol
CID 156905019
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
hexatriacont-17-en-18-ol
CID 173290872
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol?
The IUPAC name of (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol (CID 101275211) is (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol.
What is the SMILES notation for (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol?
The canonical SMILES for (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol is CCCCCCC/C(O)=C/N(/C=C(\O)CCCCCCC)CCO.
What is the InChIKey of (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol?
The InChIKey is ATIYYUSNCHGOCI-CLFAGFIQSA-N. The full InChI is InChI=1S/C20H39NO3/c1-3-5-7-9-11-13-19(23)17-21(15-16-22)18-20(24)14-12-10-8-6-4-2/h17-18,22-24H,3-16H2,1-2H3/b19-17-,20-18-.
What are the key properties of (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol?
(Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol has a molecular weight of 341.54 g/mol, XLogP of 5.80, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-hydroxyethyl-[(Z)-2-hydroxynon-1-enyl]amino]non-1-en-2-ol is sourced from PubChem (CID 101275211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).