chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride

C29H64Cl2CrN3O- — CID 173229740

IUPACchromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride
SMILESCCCCCCCCCCCCC1NCNC(CCO)N1.Cl.Cl.[CH2-]CCCCCCCCCCC.[Cr]
InChIInChI=1S/C17H37N3O.C12H25.2ClH.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-16-18-15-19-17(20-16)13-14-21;1-3-5-7-9-11-12-10-8-6-4-2;;;/h16-21H,2-15H2,1H3;1,3-12H2,2H3;2*1H;/q;-1;;;
InChIKeyAWOXPVJEUCCGJE-UHFFFAOYSA-N
MW593.75 g/mol
LogP8.65
Rot. Bonds22

About chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride

chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride (PubChem CID 173229740) has the molecular formula C29H64Cl2CrN3O- and a molecular weight of 593.75 g/mol. Its IUPAC name is chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Namechromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride
PubChem CID173229740
Molecular FormulaC29H64Cl2CrN3O-
Molecular Weight593.75 g/mol
Exact Mass592.38
IUPAC Namechromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride
SMILESCCCCCCCCCCCCC1NCNC(CCO)N1.Cl.Cl.[CH2-]CCCCCCCCCCC.[Cr]
InChIInChI=1S/C17H37N3O.C12H25.2ClH.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-16-18-15-19-17(20-16)13-14-21;1-3-5-7-9-11-12-10-8-6-4-2;;;/h16-21H,2-15H2,1H3;1,3-12H2,2H3;2*1H;/q;-1;;;
InChIKeyAWOXPVJEUCCGJE-UHFFFAOYSA-N
XLogP8.65
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.75
LogP ≤ 58.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tridecylimidazolidine
CID 54282172
decane;ethanol;titanium
CID 141397996
heptadecane
CID 156905849
butan-1-ol;hexane;samarium
CID 139987504
methanol;octadecane;titanium
CID 87743640
ethanol;bis(hexane);zirconium(2+)
CID 11696018
magnesium;butane;octane;hydrochloride
CID 87898861
bis(octan-1-ol);oxotitanium(2+);bis(tetradecane)
CID 87176299
cerium;dodecane
CID 154114371
tetrakis(heptane);zirconium(4+)
CID 154501032
sodium tritriacontane
CID 150964196
lithium tridecane
CID 11321439

Frequently Asked Questions

What is the IUPAC name of chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride?
The IUPAC name of chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride (CID 173229740) is chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride.
What is the SMILES notation for chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride?
The canonical SMILES for chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride is CCCCCCCCCCCCC1NCNC(CCO)N1.Cl.Cl.[CH2-]CCCCCCCCCCC.[Cr].
What is the InChIKey of chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride?
The InChIKey is AWOXPVJEUCCGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O.C12H25.2ClH.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-16-18-15-19-17(20-16)13-14-21;1-3-5-7-9-11-12-10-8-6-4-2;;;/h16-21H,2-15H2,1H3;1,3-12H2,2H3;2*1H;/q;-1;;;.
What are the key properties of chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride?
chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride has a molecular weight of 593.75 g/mol, XLogP of 8.65, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;dodecane;2-(4-dodecyl-1,3,5-triazinan-2-yl)ethanol;dihydrochloride is sourced from PubChem (CID 173229740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).