3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)

C13H26N2U — CID 59783594

IUPAC3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)
SMILESCC(C)(C)N1CC2CC(C1)[N-]2.C[C-](C)C.[U+2]
InChIInChI=1S/C9H17N2.C4H9.U/c1-9(2,3)11-5-7-4-8(6-11)10-7;1-4(2)3;/h7-8H,4-6H2,1-3H3;1-3H3;/q2*-1;+2
InChIKeyYTQYPELPFWWONI-UHFFFAOYSA-N
MW448.39 g/mol
LogP3.24
Rot. Bonds

About 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)

3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+) (PubChem CID 59783594) has the molecular formula C13H26N2U and a molecular weight of 448.39 g/mol. Its IUPAC name is 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+).

Molecular Properties

Compound Name3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)
PubChem CID59783594
Molecular FormulaC13H26N2U
Molecular Weight448.39 g/mol
Exact Mass448.26
IUPAC Name3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)
SMILESCC(C)(C)N1CC2CC(C1)[N-]2.C[C-](C)C.[U+2]
InChIInChI=1S/C9H17N2.C4H9.U/c1-9(2,3)11-5-7-4-8(6-11)10-7;1-4(2)3;/h7-8H,4-6H2,1-3H3;1-3H3;/q2*-1;+2
InChIKeyYTQYPELPFWWONI-UHFFFAOYSA-N
XLogP3.24
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+) with MolForge

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Related Compounds

1-(3-Piperidin-1-ylbutan-2-yl)piperidine
CID 14615095
3-Tert-butyl-6-(2,2-difluoroethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 139313722
3-Tert-butyl-6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 139313723
1-(1-Tert-butylazetidin-3-yl)-4-fluoropiperidine
CID 153506043
3-Tert-butyl-6-(2-fluoroethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 176615768
3-Tert-butyl-6-(2,2-difluoropropyl)-3,6-diazabicyclo[3.1.1]heptane
CID 157595639
(1-Methyl-2-piperidylethyl)piperidine
CID 4126940
1-(1-Piperidin-1-ylpentan-2-yl)piperidine
CID 12250548
6-Methyl-3-propyl-3,6-diazabicyclo[3.1.1]heptane
CID 17972142
2,4,6,6-Tetramethyl-1,4-diazabicyclo[3.1.1]heptane
CID 20427618
3,6-Di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 20781153
1-Tert-butyl-4-(2-piperidin-1-ylethyl)piperazine
CID 21061530

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)?
The IUPAC name of 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+) (CID 59783594) is 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+).
What is the SMILES notation for 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)?
The canonical SMILES for 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+) is CC(C)(C)N1CC2CC(C1)[N-]2.C[C-](C)C.[U+2].
What is the InChIKey of 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)?
The InChIKey is YTQYPELPFWWONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2.C4H9.U/c1-9(2,3)11-5-7-4-8(6-11)10-7;1-4(2)3;/h7-8H,4-6H2,1-3H3;1-3H3;/q2*-1;+2.
What are the key properties of 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+)?
3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+) has a molecular weight of 448.39 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-aza-6-azanidabicyclo[3.1.1]heptane;2-methylpropane;uranium(2+) is sourced from PubChem (CID 59783594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).