ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium

C18H32NZr-5 — CID 58594809

IUPACethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium
SMILES[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]CC[N-]c1c(C)cc(C)cc1C.[Zr]
InChIInChI=1S/C12H17N.3C2H5.Zr/c1-5-6-13-12-10(3)7-9(2)8-11(12)4;3*1-2;/h7-8H,1,5-6H2,2-4H3;3*1H2,2H3;/q-2;3*-1;
InChIKeyLMTCYTRAKMMUPD-UHFFFAOYSA-N
MW353.69 g/mol
LogP6.36
Rot. Bonds3

About ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium

ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium (PubChem CID 58594809) has the molecular formula C18H32NZr-5 and a molecular weight of 353.69 g/mol. Its IUPAC name is ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium.

Molecular Properties

Compound Nameethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium
PubChem CID58594809
Molecular FormulaC18H32NZr-5
Molecular Weight353.69 g/mol
Exact Mass352.16
IUPAC Nameethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium
SMILES[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]CC[N-]c1c(C)cc(C)cc1C.[Zr]
InChIInChI=1S/C12H17N.3C2H5.Zr/c1-5-6-13-12-10(3)7-9(2)8-11(12)4;3*1-2;/h7-8H,1,5-6H2,2-4H3;3*1H2,2H3;/q-2;3*-1;
InChIKeyLMTCYTRAKMMUPD-UHFFFAOYSA-N
XLogP6.36
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis((2,6-dimethylphenyl)-(2-methanidylphenyl)azanide);ethane;bis(propyl-(2,4,6-trimethylphenyl)azanide);zirconium
CID 158363093
dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide
CID 11635085
(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethylamino]ethyl]azanide;phenylmethanone;zirconium
CID 153430758
1,3-dimethyl-1,3-bis(2,4,6-trimethylphenyl)guanidine
CID 177044470
lithium (2,4,6-trimethylphenyl)-trimethylsilylazanide
CID 12699524
bis(bis(trimethylsilyl)azanide);bis(pyrrol-1-id-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);bis(samarium(3+))
CID 139162003
lithium pent-1-ynyl-bis(2,4,6-trimethylphenyl)borane
CID 10087458
dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide
CID 153290983
ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991
1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)tellanylbenzene
CID 11783500
methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))
CID 160728045
potassium;2-methanidyl-1,3,5-trimethylbenzene;trifluoroborane
CID 175186058

Frequently Asked Questions

What is the IUPAC name of ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium?
The IUPAC name of ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium (CID 58594809) is ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium.
What is the SMILES notation for ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium?
The canonical SMILES for ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium is [CH2-]C.[CH2-]C.[CH2-]C.[CH2-]CC[N-]c1c(C)cc(C)cc1C.[Zr].
What is the InChIKey of ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium?
The InChIKey is LMTCYTRAKMMUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.3C2H5.Zr/c1-5-6-13-12-10(3)7-9(2)8-11(12)4;3*1-2;/h7-8H,1,5-6H2,2-4H3;3*1H2,2H3;/q-2;3*-1;.
What are the key properties of ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium?
ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium has a molecular weight of 353.69 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium is sourced from PubChem (CID 58594809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).