tripotassium;hydride;octadecan-1-amine;hydrochloride

C18H43ClK3N — CID 174410869

IUPACtripotassium;hydride;octadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN.Cl.[H-].[H-].[H-].[K+].[K+].[K+]
InChIInChI=1S/C18H39N.ClH.3K.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;;;;/h2-19H2,1H3;1H;;;;;;/q;;3*+1;3*-1
InChIKeySKJXETAVHBTEHC-UHFFFAOYSA-N
MW426.30 g/mol
LogP-2.02
Rot. Bonds16

About tripotassium;hydride;octadecan-1-amine;hydrochloride

tripotassium;hydride;octadecan-1-amine;hydrochloride (PubChem CID 174410869) has the molecular formula C18H43ClK3N and a molecular weight of 426.30 g/mol. Its IUPAC name is tripotassium;hydride;octadecan-1-amine;hydrochloride.

Molecular Properties

Compound Nametripotassium;hydride;octadecan-1-amine;hydrochloride
PubChem CID174410869
Molecular FormulaC18H43ClK3N
Molecular Weight426.30 g/mol
Exact Mass425.20
IUPAC Nametripotassium;hydride;octadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN.Cl.[H-].[H-].[H-].[K+].[K+].[K+]
InChIInChI=1S/C18H39N.ClH.3K.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;;;;/h2-19H2,1H3;1H;;;;;;/q;;3*+1;3*-1
InChIKeySKJXETAVHBTEHC-UHFFFAOYSA-N
XLogP-2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 5-2.02
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

octadecan-1-amine;trihydrochloride
CID 175177898
decan-1-amine;dihydrochloride
CID 172731620
potassium;octadecan-1-amine;chloride
CID 174768392
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
hexadecan-1-amine;zinc
CID 175602655

Frequently Asked Questions

What is the IUPAC name of tripotassium;hydride;octadecan-1-amine;hydrochloride?
The IUPAC name of tripotassium;hydride;octadecan-1-amine;hydrochloride (CID 174410869) is tripotassium;hydride;octadecan-1-amine;hydrochloride.
What is the SMILES notation for tripotassium;hydride;octadecan-1-amine;hydrochloride?
The canonical SMILES for tripotassium;hydride;octadecan-1-amine;hydrochloride is CCCCCCCCCCCCCCCCCCN.Cl.[H-].[H-].[H-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;hydride;octadecan-1-amine;hydrochloride?
The InChIKey is SKJXETAVHBTEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.ClH.3K.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;;;;/h2-19H2,1H3;1H;;;;;;/q;;3*+1;3*-1.
What are the key properties of tripotassium;hydride;octadecan-1-amine;hydrochloride?
tripotassium;hydride;octadecan-1-amine;hydrochloride has a molecular weight of 426.30 g/mol, XLogP of -2.02, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;hydride;octadecan-1-amine;hydrochloride is sourced from PubChem (CID 174410869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).