tetracosan-1-amine;hydrobromide

C24H52BrN — CID 175600580

IUPACtetracosan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C24H51N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;/h2-25H2,1H3;1H
InChIKeyLYAUVDIIIINGIH-UHFFFAOYSA-N
MW434.59 g/mol
LogP9.13
Rot. Bonds22

About tetracosan-1-amine;hydrobromide

tetracosan-1-amine;hydrobromide (PubChem CID 175600580) has the molecular formula C24H52BrN and a molecular weight of 434.59 g/mol. Its IUPAC name is tetracosan-1-amine;hydrobromide.

Molecular Properties

Compound Nametetracosan-1-amine;hydrobromide
PubChem CID175600580
Molecular FormulaC24H52BrN
Molecular Weight434.59 g/mol
Exact Mass433.33
IUPAC Nametetracosan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C24H51N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;/h2-25H2,1H3;1H
InChIKeyLYAUVDIIIINGIH-UHFFFAOYSA-N
XLogP9.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 59.13
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

pentadecan-1-amine;hydrobromide
CID 173087623
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;trihydrochloride
CID 175177898
nonan-1-amine;dihydrate
CID 174770026
copper;hexan-1-amine
CID 87269039
hexadecan-1-amine;hydroiodide
CID 173125534

Frequently Asked Questions

What is the IUPAC name of tetracosan-1-amine;hydrobromide?
The IUPAC name of tetracosan-1-amine;hydrobromide (CID 175600580) is tetracosan-1-amine;hydrobromide.
What is the SMILES notation for tetracosan-1-amine;hydrobromide?
The canonical SMILES for tetracosan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCCCCCCCCCN.
What is the InChIKey of tetracosan-1-amine;hydrobromide?
The InChIKey is LYAUVDIIIINGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;/h2-25H2,1H3;1H.
What are the key properties of tetracosan-1-amine;hydrobromide?
tetracosan-1-amine;hydrobromide has a molecular weight of 434.59 g/mol, XLogP of 9.13, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosan-1-amine;hydrobromide is sourced from PubChem (CID 175600580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).