tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)

C39H84N9U — CID 139189136

IUPACtris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)
SMILESCC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.CC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.CC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.[U+3]
InChIInChI=1S/3C13H28N3.U/c3*1-9(2)14-13(15-10(3)4)16(11(5)6)12(7)8;/h3*9-12H,1-8H3;/q3*-1;+3
InChIKeyLLIWWXLDVXYWEQ-UHFFFAOYSA-N
MW917.19 g/mol
LogP10.96
Rot. Bonds12

About tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)

tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+) (PubChem CID 139189136) has the molecular formula C39H84N9U and a molecular weight of 917.19 g/mol. Its IUPAC name is tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+).

Molecular Properties

Compound Nametris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)
PubChem CID139189136
Molecular FormulaC39H84N9U
Molecular Weight917.19 g/mol
Exact Mass916.74
IUPAC Nametris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)
SMILESCC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.CC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.CC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.[U+3]
InChIInChI=1S/3C13H28N3.U/c3*1-9(2)14-13(15-10(3)4)16(11(5)6)12(7)8;/h3*9-12H,1-8H3;/q3*-1;+3
InChIKeyLLIWWXLDVXYWEQ-UHFFFAOYSA-N
XLogP10.96
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.19
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

lithium propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide
CID 15871615
tetrakis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(yttrium)
CID 11845690
cyclohexane;tris((N,N-diethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);yttrium(3+)
CID 139128588
dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride
CID 139151918
N,N,N'-tri(propan-2-yl)carbamimidoyl chloride
CID 54266519
lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide
CID 101047341
cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)
CID 139189585
bis[di(propan-2-yl)amino]methylidenerhodium
CID 151616731
S-(1,2-dichloroprop-1-enyl) N,N-di(propan-2-yl)carbamothioate
CID 56627222
[2,6-di(propan-2-yl)phenyl]-[N'-[2,6-di(propan-2-yl)phenyl]-N,N-di(propan-2-yl)carbamimidoyl]azanide
CID 102382050
bis(cyclopentane);(N-phenyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;ytterbium(3+)
CID 23231140
2-propan-2-ylguanidine;sulfuric acid
CID 11644095

Frequently Asked Questions

What is the IUPAC name of tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)?
The IUPAC name of tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+) (CID 139189136) is tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+).
What is the SMILES notation for tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)?
The canonical SMILES for tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+) is CC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.CC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.CC(C)/N=C(/[N-]C(C)C)N(C(C)C)C(C)C.[U+3].
What is the InChIKey of tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)?
The InChIKey is LLIWWXLDVXYWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H28N3.U/c3*1-9(2)14-13(15-10(3)4)16(11(5)6)12(7)8;/h3*9-12H,1-8H3;/q3*-1;+3.
What are the key properties of tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+)?
tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+) has a molecular weight of 917.19 g/mol, XLogP of 10.96, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-2-yl-[N,N,N'-tri(propan-2-yl)carbamimidoyl]azanide);uranium(3+) is sourced from PubChem (CID 139189136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).