1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol

C20H43NO3 — CID 57193035

IUPAC1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CN(C(C)O)C(C)O
InChIInChI=1S/C20H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)17-21(18(2)22)19(3)23/h18-20,22-24H,4-17H2,1-3H3
InChIKeyQAEVTJDXWVXYBL-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.42
Rot. Bonds17

About 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol

1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol (PubChem CID 57193035) has the molecular formula C20H43NO3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol
PubChem CID57193035
Molecular FormulaC20H43NO3
Molecular Weight345.57 g/mol
Exact Mass345.32
IUPAC Name1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CN(C(C)O)C(C)O
InChIInChI=1S/C20H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)17-21(18(2)22)19(3)23/h18-20,22-24H,4-17H2,1-3H3
InChIKeyQAEVTJDXWVXYBL-UHFFFAOYSA-N
XLogP4.42
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxydodecyl(propan-2-yl)amino]tridecan-2-ol
CID 171814651
1-[2-hydroxyhexadecyl(methyl)amino]hexadecan-2-ol
CID 139658623
(2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]dodecan-2-ol
CID 129387119
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
1-[2-hydroxydodecyl(pentylsulfanyl)amino]dodecan-2-ol
CID 175962884

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol (CID 57193035) is 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol is CCCCCCCCCCCCCCC(O)CN(C(C)O)C(C)O.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol?
The InChIKey is QAEVTJDXWVXYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)17-21(18(2)22)19(3)23/h18-20,22-24H,4-17H2,1-3H3.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol?
1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol has a molecular weight of 345.57 g/mol, XLogP of 4.42, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol is sourced from PubChem (CID 57193035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).