21,21-dihydroxyhenicosylazanium chloride

C21H46ClNO2 — CID 139822452

IUPAC21,21-dihydroxyhenicosylazanium chloride
SMILES[Cl-].[NH3+]CCCCCCCCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C21H45NO2.ClH/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24;/h21,23-24H,1-20,22H2;1H
InChIKeyUSGZMMVPKQHPMP-UHFFFAOYSA-N
MW380.06 g/mol
LogP1.95
Rot. Bonds20

About 21,21-dihydroxyhenicosylazanium chloride

21,21-dihydroxyhenicosylazanium chloride (PubChem CID 139822452) has the molecular formula C21H46ClNO2 and a molecular weight of 380.06 g/mol. Its IUPAC name is 21,21-dihydroxyhenicosylazanium chloride.

Molecular Properties

Compound Name21,21-dihydroxyhenicosylazanium chloride
PubChem CID139822452
Molecular FormulaC21H46ClNO2
Molecular Weight380.06 g/mol
Exact Mass379.32
IUPAC Name21,21-dihydroxyhenicosylazanium chloride
SMILES[Cl-].[NH3+]CCCCCCCCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C21H45NO2.ClH/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24;/h21,23-24H,1-20,22H2;1H
InChIKeyUSGZMMVPKQHPMP-UHFFFAOYSA-N
XLogP1.95
TPSA68.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.06
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

4,4-dihydroxybutylazanium bromide
CID 139637636
octane-1,1,8,8-tetrol
CID 88519685
decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
14-aminotetradecane-1,1-diol
CID 87370531
(7-azaniumyl-2-hydroxyheptan-3-yl)azanium
CID 163920035
dodecane-1,1-diol;dihydrochloride
CID 87128887
CID 172691644
CID 172691644
undecane-1,1,9,11-tetrol
CID 123331969
17-(hydroxyamino)heptadecane-1,1,17-triol
CID 123788893

Frequently Asked Questions

What is the IUPAC name of 21,21-dihydroxyhenicosylazanium chloride?
The IUPAC name of 21,21-dihydroxyhenicosylazanium chloride (CID 139822452) is 21,21-dihydroxyhenicosylazanium chloride.
What is the SMILES notation for 21,21-dihydroxyhenicosylazanium chloride?
The canonical SMILES for 21,21-dihydroxyhenicosylazanium chloride is [Cl-].[NH3+]CCCCCCCCCCCCCCCCCCCCC(O)O.
What is the InChIKey of 21,21-dihydroxyhenicosylazanium chloride?
The InChIKey is USGZMMVPKQHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO2.ClH/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24;/h21,23-24H,1-20,22H2;1H.
What are the key properties of 21,21-dihydroxyhenicosylazanium chloride?
21,21-dihydroxyhenicosylazanium chloride has a molecular weight of 380.06 g/mol, XLogP of 1.95, 20 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21,21-dihydroxyhenicosylazanium chloride is sourced from PubChem (CID 139822452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).