azane;tritriacontane;hydrochloride

C33H72ClN — CID 174841743

IUPACazane;tritriacontane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.Cl.N
InChIInChI=1S/C33H68.ClH.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h3-33H2,1-2H3;1H;1H3
InChIKeyJUKKMIHBVGDXIH-UHFFFAOYSA-N
MW518.40 g/mol
LogP13.70
Rot. Bonds30

About azane;tritriacontane;hydrochloride

azane;tritriacontane;hydrochloride (PubChem CID 174841743) has the molecular formula C33H72ClN and a molecular weight of 518.40 g/mol. Its IUPAC name is azane;tritriacontane;hydrochloride.

Molecular Properties

Compound Nameazane;tritriacontane;hydrochloride
PubChem CID174841743
Molecular FormulaC33H72ClN
Molecular Weight518.40 g/mol
Exact Mass517.54
IUPAC Nameazane;tritriacontane;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.Cl.N
InChIInChI=1S/C33H68.ClH.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h3-33H2,1-2H3;1H;1H3
InChIKeyJUKKMIHBVGDXIH-UHFFFAOYSA-N
XLogP13.70
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.40
LogP ≤ 513.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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azane;methane;undecane
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methane;octane;dihydrochloride
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azane;bis(octadecane);hydrobromide
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azane;docosane;methane
CID 175254385
heptane;phosphane;trihydrochloride
CID 175501735
heptane;silane;trihydrochloride
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Frequently Asked Questions

What is the IUPAC name of azane;tritriacontane;hydrochloride?
The IUPAC name of azane;tritriacontane;hydrochloride (CID 174841743) is azane;tritriacontane;hydrochloride.
What is the SMILES notation for azane;tritriacontane;hydrochloride?
The canonical SMILES for azane;tritriacontane;hydrochloride is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.Cl.N.
What is the InChIKey of azane;tritriacontane;hydrochloride?
The InChIKey is JUKKMIHBVGDXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68.ClH.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h3-33H2,1-2H3;1H;1H3.
What are the key properties of azane;tritriacontane;hydrochloride?
azane;tritriacontane;hydrochloride has a molecular weight of 518.40 g/mol, XLogP of 13.70, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tritriacontane;hydrochloride is sourced from PubChem (CID 174841743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).